-
2
-
-
85133393741
-
-
Elsevier Academic Press, USA
-
Cavanagh, J.; Fairbrother, W.; Palmer, A. G., 3rd; Rance, M.; Skelton, N. J. Protein NMR Spectroscopy, Principles and Practice; Elsevier Academic Press, USA, 2007.
-
(2007)
Protein NMR Spectroscopy, Principles and Practice
-
-
Cavanagh, J.1
Fairbrother, W.2
Palmer III, A.G.3
Rance, M.4
Skelton, N.J.5
-
3
-
-
34548484836
-
Perspectives of biomolecular NMR in drug discovery: The blessing and curse of versatility
-
Jahnke, W. Perspectives of biomolecular NMR in drug discovery: the blessing and curse of versatility. J. Biomol., NMR 2007, 39, 87-90.
-
(2007)
J. Biomol., NMR
, vol.39
, pp. 87-90
-
-
Jahnke, W.1
-
4
-
-
84892086262
-
-
Jhoti, H.; Leach, A. R. Eds., Springer: USA
-
Jhoti, H.; Leach, A. R. Eds. Structure-based Drug Discovery; Springer: USA, 2007.
-
(2007)
Structure-based Drug Discovery
-
-
-
7
-
-
4344592378
-
Fragmentbased lead discovery
-
Rees, D. C.; Congreve, M.; Murray, C. W.; Carr, R. Fragmentbased lead discovery. Nat. Rev. Drug Discov., 2004, 3, 660-672.
-
(2004)
Nat. Rev. Drug Discov.
, vol.3
, pp. 660-672
-
-
Rees, D.C.1
Congreve, M.2
Murray, C.W.3
Carr, R.4
-
8
-
-
3342998507
-
Making drugs on proteins: Sitedirected ligand discovery for fragment-based lead assembly
-
Erlanson, D. A.; Hansen, S. K. Making drugs on proteins: sitedirected ligand discovery for fragment-based lead assembly. Curr. Opin. Chem. Biol., 2004, 8, 399-406.
-
(2004)
Curr. Opin. Chem. Biol.
, vol.8
, pp. 399-406
-
-
Erlanson, D.A.1
Hansen, S.K.2
-
9
-
-
22044441118
-
Fragmentbased lead discovery: Leads by design
-
Carr, R. A.; Congreve, M.; Murray, C. W.; Rees, D. C. Fragmentbased lead discovery: leads by design. Drug Discov. Today, 2005, 10, 987-992.
-
(2005)
Drug Discov. Today
, vol.10
, pp. 987-992
-
-
Carr, R.A.1
Congreve, M.2
Murray, C.W.3
Rees, D.C.4
-
10
-
-
33747595638
-
Fragment screening: An introduction
-
Leach, A. R.; Hann, M. M.; Burrows, J. N.; Griffen, E. J. Fragment screening: an introduction. Mol. Biosyst., 2006, 2, 430-446.
-
(2006)
Mol. Biosyst.
, vol.2
, pp. 430-446
-
-
Leach, A.R.1
Hann, M.M.2
Burrows, J.N.3
Griffen, E.J.4
-
11
-
-
33845364148
-
Fragment-based drug design: How big is too big?
-
Hajduk, P. J. Fragment-based drug design: how big is too big? J. Med. Chem., 2006, 49, 6972-6976.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6972-6976
-
-
Hajduk, P.J.1
-
12
-
-
35848961691
-
NMR-based screening: A powerful tool in fragment-based drug discovery
-
Klages, J.; Coles, M.; Kessler, H. NMR-based screening: a powerful tool in fragment-based drug discovery. Analyst, 2007, 132, 693-705.
-
(2007)
Analyst
, vol.132
, pp. 693-705
-
-
Klages, J.1
Coles, M.2
Kessler, H.3
-
13
-
-
46349096029
-
Fragment-based approach to drug lead discovery: Overview and advances in various techniques
-
Fattori, D.; Squarcia, A.; Bartoli, S. Fragment-based approach to drug lead discovery: overview and advances in various techniques. Drugs R. D., 2008, 9, 217-227.
-
(2008)
Drugs R. D.
, vol.9
, pp. 217-227
-
-
Fattori, D.1
Squarcia, A.2
Bartoli, S.3
-
14
-
-
0029836953
-
Discovering high-affinity ligands for proteins: SAR by NMR
-
Shuker, S. B.; Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. Discovering high-affinity ligands for proteins: SAR by NMR. Science, 1996, 274, 1531-1534.
-
(1996)
Science
, vol.274
, pp. 1531-1534
-
-
Shuker, S.B.1
Hajduk, P.J.2
Meadows, R.P.3
Fesik, S.W.4
-
15
-
-
33847381100
-
A decade of fragment-based drug design: Strategic advances and lessons learned
-
Hajduk, P. J.; Greer, J. A decade of fragment-based drug design: strategic advances and lessons learned. Nat. Rev. Drug Discov., 2007, 6, 211-219.
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
16
-
-
0033621044
-
The maximal affinity of ligands
-
Kuntz, I. D.; Chen, K.; Sharp, K. A.; Kollman, P. A. The maximal affinity of ligands. Proc. Natl. Acad. Sci., USA, 1999, 96, 9997-10002.
-
(1999)
Proc. Natl. Acad. Sci., USA
, vol.96
, pp. 9997-10002
-
-
Kuntz, I.D.1
Chen, K.2
Sharp, K.A.3
Kollman, P.A.4
-
17
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
Hopkins, A. L.; Groom, C. R.; Alex, A. Ligand efficiency: a useful metric for lead selection. Drug Discov. Today, 2004, 9, 430-431.
-
(2004)
Drug Discov. Today
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
18
-
-
17044403086
-
Ligand efficiency indices as guideposts for drug discovery
-
Abad-Zapatero, C.; Metz, J. T. Ligand efficiency indices as guideposts for drug discovery. Drug Discov. Today, 2005, 10, 464-469.
-
(2005)
Drug Discov. Today
, vol.10
, pp. 464-469
-
-
Abad-Zapatero, C.1
Metz, J.T.2
-
19
-
-
33751204422
-
Fragment-based lead discovery: A chemical update
-
Erlanson, D. A. Fragment-based lead discovery: a chemical update. Curr. Opin. Biotechnol., 2006, 17, 643-652.
-
(2006)
Curr. Opin. Biotechnol.
, vol.17
, pp. 643-652
-
-
Erlanson, D.A.1
-
20
-
-
36248997755
-
Fragment-based drug discovery: What has it achieved so far?
-
Alex, A. A.; Flocco, M. M. Fragment-based drug discovery: what has it achieved so far? Curr. Top. Med. Chem., 2007, 7, 1544-1567.
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1544-1567
-
-
Alex, A.A.1
Flocco, M.M.2
-
21
-
-
46849089254
-
Recent developments in fragment-based drug discovery
-
Congreve, M.; Chessari, G.; Tisi, D.; Woodhead, A. J. Recent developments in fragment-based drug discovery. J. Med. Chem., 2008, 51, 3661-3680.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 3661-3680
-
-
Congreve, M.1
Chessari, G.2
Tisi, D.3
Woodhead, A.J.4
-
22
-
-
67649494337
-
Transforming fragments into candidates: Small becomes big in medicinal chemistry
-
de Kloe, G. E.; Bailey, D.; Leurs, R.; de Esch, I. J. Transforming fragments into candidates: small becomes big in medicinal chemistry. Drug Discov. Today, 2009, 14, 630-646.
-
(2009)
Drug Discov. Today
, vol.14
, pp. 630-646
-
-
de Kloe, G.E.1
Bailey, D.2
Leurs, R.3
de Esch, I.J.4
-
23
-
-
67649341990
-
From fragment to clinical candidate- -a historical perspective
-
Chessari, G.; Woodhead, A. J. From fragment to clinical candidate- -a historical perspective. Drug Discov. Today, 2009, 14, 668-675.
-
(2009)
Drug Discov. Today
, vol.14
, pp. 668-675
-
-
Chessari, G.1
Woodhead, A.J.2
-
24
-
-
12344318177
-
Fragment-based lead discovery using X-ray crystallography
-
Hartshorn, M. J.; Murray, C. W.; Cleasby, A.; Frederickson, M.; Tickle, I. J.; Jhoti, H. Fragment-based lead discovery using X-ray crystallography. J. Med. Chem., 2005, 48, 403-413.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 403-413
-
-
Hartshorn, M.J.1
Murray, C.W.2
Cleasby, A.3
Frederickson, M.4
Tickle, I.J.5
Jhoti, H.6
-
25
-
-
35348922285
-
Fragment-based screening using X-ray crystallography and NMR spectroscopy
-
Jhoti, H.; Cleasby, A.; Verdonk, M.; Williams, G. Fragment-based screening using X-ray crystallography and NMR spectroscopy. Curr. Opin. Chem. Biol., 2007, 11, 485-493.
-
(2007)
Curr. Opin. Chem. Biol.
, vol.11
, pp. 485-493
-
-
Jhoti, H.1
Cleasby, A.2
Verdonk, M.3
Williams, G.4
-
26
-
-
36249028775
-
SPR-based fragment screening: Advantages and applications
-
Neumann, T.; Junker, H. D.; Schmidt, K.; Sekul, R. SPR-based fragment screening: advantages and applications. Curr. Top. Med. Chem., 2007, 7, 1630-1642.
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1630-1642
-
-
Neumann, T.1
Junker, H.D.2
Schmidt, K.3
Sekul, R.4
-
27
-
-
66149086942
-
Direct optical detection in fragmentbased screening
-
Proll, F.; Fechner, P.; Proll, G. Direct optical detection in fragmentbased screening. Anal. Bioanal. Chem., 2009, 393, 1557-1562.
-
(2009)
Anal. Bioanal. Chem.
, vol.393
, pp. 1557-1562
-
-
Proll, F.1
Fechner, P.2
Proll, G.3
-
28
-
-
0035241691
-
Analysis of noncovalent complexes of DNA and RNA by mass spectrometry
-
Hofstadler, S. A.; Griffey, R. H. Analysis of noncovalent complexes of DNA and RNA by mass spectrometry. Chem. Rev., 2001, 101, 377-390.
-
(2001)
Chem. Rev.
, vol.101
, pp. 377-390
-
-
Hofstadler, S.A.1
Griffey, R.H.2
-
29
-
-
2542542373
-
Tethering: Fragmentbased drug discovery
-
Erlanson, D. A.; Wells, J. A.; Braisted, A. C. Tethering: fragmentbased drug discovery. Annu. Rev. Biophys. Biomol. Struct., 2004, 33, 199-223.
-
(2004)
Annu. Rev. Biophys. Biomol. Struct.
, vol.33
, pp. 199-223
-
-
Erlanson, D.A.1
Wells, J.A.2
Braisted, A.C.3
-
30
-
-
36348998688
-
Fragment based drug discovery using fluorescence correlation: Spectroscopy techniques: Challenges and solutions
-
Hesterkamp, T.; Barker, J.; Davenport, A.; Whittaker, M. Fragment based drug discovery using fluorescence correlation: spectroscopy techniques: challenges and solutions. Curr. Top. Med. Chem., 2007, 7, 1582-1591.
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1582-1591
-
-
Hesterkamp, T.1
Barker, J.2
Davenport, A.3
Whittaker, M.4
-
31
-
-
33748929006
-
Thermofluor-based high-throughput stability optimization of proteins for structural studies
-
Ericsson, U. B.; Hallberg, B. M.; Detitta, G. T.; Dekker, N.; Nordlund, P. Thermofluor-based high-throughput stability optimization of proteins for structural studies. Anal. Biochem., 2006, 357, 289-298.
-
(2006)
Anal. Biochem.
, vol.357
, pp. 289-298
-
-
Ericsson, U.B.1
Hallberg, B.M.2
Detitta, G.T.3
Dekker, N.4
Nordlund, P.5
-
32
-
-
0035358813
-
Applications of NMR in drug discovery
-
Diercks, T.; Coles, M.; Kessler, H. Applications of NMR in drug discovery. Curr. Opin. Chem. Biol., 2001, 5, 285-291.
-
(2001)
Curr. Opin. Chem. Biol.
, vol.5
, pp. 285-291
-
-
Diercks, T.1
Coles, M.2
Kessler, H.3
-
33
-
-
0036490372
-
NMR in drug discovery
-
Pellecchia, M.; Sem, D. S.; Wuthrich, K. NMR in drug discovery. Nat. Rev. Drug Discov., 2002, 1, 211-219.
-
(2002)
Nat. Rev. Drug Discov.
, vol.1
, pp. 211-219
-
-
Pellecchia, M.1
Sem, D.S.2
Wuthrich, K.3
-
34
-
-
0037010533
-
NMR screening techniques in drug discovery and drug design
-
Stockman, B. J.; Dalvit, C. NMR screening techniques in drug discovery and drug design. Prog. Nucl. Magn. Reson. Spectrosc., 2002, 41, 187-231.
-
(2002)
Prog. Nucl. Magn. Reson. Spectrosc.
, vol.41
, pp. 187-231
-
-
Stockman, B.J.1
Dalvit, C.2
-
35
-
-
0041932065
-
NMR-based screening technologies
-
Coles, M.; Heller, M.; Kessler, H. NMR-based screening technologies. Drug Discov. Today, 2003, 8, 803-810.
-
(2003)
Drug Discov. Today
, vol.8
, pp. 803-810
-
-
Coles, M.1
Heller, M.2
Kessler, H.3
-
36
-
-
0037463033
-
NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors
-
Meyer, B.; Peters, T. NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors. Angew Chem. Int. Ed. Engl., 2003, 42, 864-890.
-
(2003)
Angew Chem. Int. Ed. Engl.
, vol.42
, pp. 864-890
-
-
Meyer, B.1
Peters, T.2
-
37
-
-
0037259492
-
Automation of biomolecular NMR screening
-
Ross, A.; Senn, H. Automation of biomolecular NMR screening. Curr. Top. Med. Chem., 2003, 3, 55-67.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 55-67
-
-
Ross, A.1
Senn, H.2
-
38
-
-
0037256105
-
1D NMR Methods in ligand-receptor interactions
-
Zartler, E. R.; Yan, J.; Mo, H.; Kline, A. D.; Shapiro, M. J. 1D NMR Methods in ligand-receptor interactions. Curr. Top. Med. Chem., 2003, 3, 25-37.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 25-37
-
-
Zartler, E.R.1
Yan, J.2
Mo, H.3
Kline, A.D.4
Shapiro, M.J.5
-
39
-
-
0347761359
-
NMR spectroscopy tools for structure-aided drug design
-
Homans, S. W. NMR spectroscopy tools for structure-aided drug design. Angew Chem. Int. Ed. Engl., 2004, 43, 290-300.
-
(2004)
Angew Chem. Int. Ed. Engl.
, vol.43
, pp. 290-300
-
-
Homans, S.W.1
-
40
-
-
4344711355
-
Theory and applications of NMR-based screening in pharmaceutical research
-
Lepre, C. A.; Moore, J. M.; Peng, J. W. Theory and applications of NMR-based screening in pharmaceutical research. Chem. Rev., 2004, 104, 3641-3676.
-
(2004)
Chem. Rev.
, vol.104
, pp. 3641-3676
-
-
Lepre, C.A.1
Moore, J.M.2
Peng, J.W.3
-
41
-
-
2942550654
-
NMR experiments for lead generation in drug discovery
-
Peng, J. W.; Moore, J.; Abdul-Manan, N. NMR experiments for lead generation in drug discovery. Prog. Nucl. Magn. Reson. Spectrosc., 2004, 44, 225-256.
-
(2004)
Prog. Nucl. Magn. Reson. Spectrosc.
, vol.44
, pp. 225-256
-
-
Peng, J.W.1
Moore, J.2
Abdul-Manan, N.3
-
42
-
-
33744538803
-
Biomolecular NMR: A chaperone to drug discovery
-
Betz, M.; Saxena, K.; Schwalbe, H. Biomolecular NMR: a chaperone to drug discovery. Curr. Opin. Chem. Biol., 2006, 10, 219-225.
-
(2006)
Curr. Opin. Chem. Biol.
, vol.10
, pp. 219-225
-
-
Betz, M.1
Saxena, K.2
Schwalbe, H.3
-
43
-
-
36248956723
-
The SeeDs approach: Integrating fragments into drug discovery
-
Hubbard, R. E.; Davis, B.; Chen, I.; Drysdale, M. J. The SeeDs approach: integrating fragments into drug discovery. Curr. Top. Med. Chem., 2007, 7, 1568-1581.
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1568-1581
-
-
Hubbard, R.E.1
Davis, B.2
Chen, I.3
Drysdale, M.J.4
-
44
-
-
36248932680
-
Practical aspects of NMR-based fragment discovery
-
Zartler, E. R.; Mo, H. Practical aspects of NMR-based fragment discovery. Curr. Top. Med. Chem., 2007, 7, 1592-1599.
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1592-1599
-
-
Zartler, E.R.1
Mo, H.2
-
45
-
-
55749115080
-
High-field solution NMR spectroscopy as a tool for assessing protein interactions with small molecule ligands
-
Skinner, A. L.; Laurence, J. S. High-field solution NMR spectroscopy as a tool for assessing protein interactions with small molecule ligands. J. Pharm. Sci., 2008, 97, 4670-4695.
-
(2008)
J. Pharm. Sci.
, vol.97
, pp. 4670-4695
-
-
Skinner, A.L.1
Laurence, J.S.2
-
46
-
-
51249121331
-
Perspectives on NMR in drug discovery: A technique comes of age
-
Pellecchia, M.; Bertini, I.; Cowburn, D.; Dalvit, C.; Giralt, E.; Jahnke, W.; James, T. L.; Homans, S. W.; Kessler, H.; Luchinat, C.; Meyer, B.; Oschkinat, H.; Peng, J.; Schwalbe, H.; Siegal, G. Perspectives on NMR in drug discovery: a technique comes of age. Nat. Rev. Drug Discov., 2008, 7(9), 738-745.
-
(2008)
Nat. Rev. Drug Discov.
, vol.7
, Issue.9
, pp. 738-745
-
-
Pellecchia, M.1
Bertini, I.2
Cowburn, D.3
Dalvit, C.4
Giralt, E.5
Jahnke, W.6
James, T.L.7
Homans, S.W.8
Kessler, H.9
Luchinat, C.10
Meyer, B.11
Oschkinat, H.12
Peng, J.13
Schwalbe, H.14
Siegal, G.15
-
47
-
-
63849325584
-
Ligand based NMR methods for drug discovery
-
Ludwig, C.; Guenther, U. L. Ligand based NMR methods for drug discovery. Front Biosci., 2009, 14, 4565-4574.
-
(2009)
Front Biosci.
, vol.14
, pp. 4565-4574
-
-
Ludwig, C.1
Guenther, U.L.2
-
48
-
-
70350422335
-
NMR methods in fragment screening: Theory and a comparison with other biophysical techniques
-
Dalvit, C. NMR methods in fragment screening: theory and a comparison with other biophysical techniques. Drug Discov. Today, 2009, 14, 1051-1057.
-
(2009)
Drug Discov. Today
, vol.14
, pp. 1051-1057
-
-
Dalvit, C.1
-
49
-
-
36248944181
-
An integrated approach to fragment-based lead generation: Philosophy, strategy and case studies from AstraZeneca's drug discovery programmes
-
Albert, J. S.; Blomberg, N.; Breeze, A. L.; Brown, A. J.; Burrows, J. N.; Edwards, P. D.; Folmer, R. H.; Geschwindner, S.; Griffen, E. J.; Kenny, P. W.; Nowak, T.; Olsson, L. L.; Sanganee, H.; Shapiro, A. B. An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes. Curr. Top. Med. Chem., 2007, 7, 1600-1629.
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1600-1629
-
-
Albert, J.S.1
Blomberg, N.2
Breeze, A.L.3
Brown, A.J.4
Burrows, J.N.5
Edwards, P.D.6
Folmer, R.H.7
Geschwindner, S.8
Griffen, E.J.9
Kenny, P.W.10
Nowak, T.11
Olsson, L.L.12
Sanganee, H.13
Shapiro, A.B.14
-
50
-
-
12144288664
-
Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization
-
Sanders, W. J.; Nienaber, V. L.; Lerner, C. G.; McCall, J. O.; Merrick, S. M.; Swanson, S. J.; Harlan, J. E.; Stoll, V. S.; Stamper, G. F.; Betz, S. F.; Condroski, K. R.; Meadows, R. P.; Severin, J. M.; Walter, K. A.; Magdalinos, P.; Jakob, C. G.; Wagner, R.; Beutel, B. A. Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. J. Med. Chem., 2004, 47, 1709-1718.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 1709-1718
-
-
Sanders, W.J.1
Nienaber, V.L.2
Lerner, C.G.3
McCall, J.O.4
Merrick, S.M.5
Swanson, S.J.6
Harlan, J.E.7
Stoll, V.S.8
Stamper, G.F.9
Betz, S.F.10
Condroski, K.R.11
Meadows, R.P.12
Severin, J.M.13
Walter, K.A.14
Magdalinos, P.15
Jakob, C.G.16
Wagner, R.17
Beutel, B.A.18
-
51
-
-
16644399583
-
Autoinhibited proteins as promising drug targets
-
Peterson, J. R.; Golemis, E. A. Autoinhibited proteins as promising drug targets. J. Cell. Biochem., 2004, 93, 68-73.
-
(2004)
J. Cell. Biochem.
, vol.93
, pp. 68-73
-
-
Peterson, J.R.1
Golemis, E.A.2
-
52
-
-
22144450983
-
A novel mechanism for the modulation of the Ras-effector interaction by small molecules
-
Spoerner, M.; Graf, T.; Konig, B.; Kalbitzer, H. R. A novel mechanism for the modulation of the Ras-effector interaction by small molecules. Biochem. Biophys. Res. Commun., 2005, 334, 709-713.
-
(2005)
Biochem. Biophys. Res. Commun.
, vol.334
, pp. 709-713
-
-
Spoerner, M.1
Graf, T.2
Konig, B.3
Kalbitzer, H.R.4
-
53
-
-
65349195698
-
Molecular docking and ligand specificity in fragment-based inhibitor discovery
-
Chen, Y.; Shoichet, B. K. Molecular docking and ligand specificity in fragment-based inhibitor discovery. Nat. Chem. Biol., 2009, 5, 358-364.
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 358-364
-
-
Chen, Y.1
Shoichet, B.K.2
-
54
-
-
0037256228
-
NMR methods for the determination of protein-ligand dissociation constants
-
Fielding, L. NMR methods for the determination of protein-ligand dissociation constants. Curr. Top. Med. Chem., 2003, 3, 39-53.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 39-53
-
-
Fielding, L.1
-
55
-
-
35948942349
-
NMR methods for the determination of protein-ligand dissociation constants
-
Fielding, L. NMR methods for the determination of protein-ligand dissociation constants. Prog. Nucl. Magn. Reson. Spectrosc., 2007, 51, 219-242.
-
(2007)
Prog. Nucl. Magn. Reson. Spectrosc.
, vol.51
, pp. 219-242
-
-
Fielding, L.1
-
56
-
-
0037014686
-
High-throughput NMRbased screening with competition binding experiments
-
Dalvit, C.; Flocco, M.; Knapp, S.; Mostardini, M.; Perego, R.; Stockman, B. J.; Veronesi, M.; Varasi, M. High-throughput NMRbased screening with competition binding experiments. J. Am. Chem. Soc., 2002, 124, 7702-7709.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 7702-7709
-
-
Dalvit, C.1
Flocco, M.2
Knapp, S.3
Mostardini, M.4
Perego, R.5
Stockman, B.J.6
Veronesi, M.7
Varasi, M.8
-
57
-
-
0037119648
-
NMR reporter screening for the detection of high-affinity ligands
-
Jahnke, W.; Floersheim, P.; Ostermeier, C.; Zhang, X.; Hemmig, R.; Hurth, K.; Uzunov, D. P. NMR reporter screening for the detection of high-affinity ligands. Angew Chem. Int. Ed. Engl., 2002, 41, 3420-3423.
-
(2002)
Angew Chem. Int. Ed. Engl.
, vol.41
, pp. 3420-3423
-
-
Jahnke, W.1
Floersheim, P.2
Ostermeier, C.3
Zhang, X.4
Hemmig, R.5
Hurth, K.6
Uzunov, D.P.7
-
58
-
-
0037119713
-
A straightforward NMR-spectroscopy-based method for rapid library screening
-
Siriwardena, A. H.; Tian, F.; Noble, S.; Prestegard, J. H. A straightforward NMR-spectroscopy-based method for rapid library screening. Angew Chem. Int. Ed. Engl., 2002, 41, 3454-3457.
-
(2002)
Angew Chem. Int. Ed. Engl.
, vol.41
, pp. 3454-3457
-
-
Siriwardena, A.H.1
Tian, F.2
Noble, S.3
Prestegard, J.H.4
-
59
-
-
54949088263
-
Theoretical analysis of the competition ligand-based NMR experiments and selected applications to fragment screening and binding constant measurements
-
Dalvit, C. Theoretical analysis of the competition ligand-based NMR experiments and selected applications to fragment screening and binding constant measurements. Concepts Magn. Reson. Part A., 2008, 32A, 341-372.
-
(2008)
Concepts Magn. Reson. Part A.
, vol.32 A
, pp. 341-372
-
-
Dalvit, C.1
-
60
-
-
0038207989
-
Fluorine-NMR experiments for high-throughput screening: Theoretical aspects, practical considerations, and range of applicability
-
Dalvit, C.; Fagerness, P. E.; Hadden, D. T.; Sarver, R. W.; Stockman, B. J. Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practical considerations, and range of applicability. J. Am. Chem. Soc., 2003, 125, 7696-7703.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 7696-7703
-
-
Dalvit, C.1
Fagerness, P.E.2
Hadden, D.T.3
Sarver, R.W.4
Stockman, B.J.5
-
61
-
-
41949105415
-
Phosphorus NMR spectroscopy as a versatile tool for compound library screening
-
Manzenrieder, F.; Frank, A. O.; Kessler, H. Phosphorus NMR spectroscopy as a versatile tool for compound library screening. Angew. Chem. Int. Ed. Engl., 2008, 47, 2608-2611.
-
(2008)
Angew. Chem. Int. Ed. Engl.
, vol.47
, pp. 2608-2611
-
-
Manzenrieder, F.1
Frank, A.O.2
Kessler, H.3
-
62
-
-
33744942643
-
Fast 2D NMR ligand screening using Hadamard spectroscopy
-
Feliz, M.; Garcia, J.; Aragon, E.; Pons, M. Fast 2D NMR ligand screening using Hadamard spectroscopy. J. Am. Chem. Soc., 2006, 128, 7146-7147.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 7146-7147
-
-
Feliz, M.1
Garcia, J.2
Aragon, E.3
Pons, M.4
-
63
-
-
67650082785
-
Recent advances in solution nmr: Fast methods and heteronuclear direct detection
-
Felli, I. C.; Brutscher, B. Recent advances in solution nmr: fast methods and heteronuclear direct detection. Chem. Phys. Chem., 2009, 10, 1356-1368.
-
(2009)
Chem. Phys. Chem.
, vol.10
, pp. 1356-1368
-
-
Felli, I.C.1
Brutscher, B.2
-
64
-
-
0030708525
-
Discovering highaffinity ligands for proteins
-
Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. Discovering highaffinity ligands for proteins. Science, 1997, 278, 497, 499.
-
(1997)
Science
, vol.278
-
-
Hajduk, P.J.1
Meadows, R.P.2
Fesik, S.W.3
-
65
-
-
57049101471
-
Backbone assignment of human proliferating cell nuclear antigen
-
Sanchez, R.; Torres, D.; Prieto, J.; Blanco, F. J.; Campos-Olivas, R. Backbone assignment of human proliferating cell nuclear antigen. Biomol. NMR Assign, 2007, 1, 245-247.
-
(2007)
Biomol. NMR Assign
, vol.1
, pp. 245-247
-
-
Sanchez, R.1
Torres, D.2
Prieto, J.3
Blanco, F.J.4
Campos-Olivas, R.5
-
66
-
-
0033168872
-
High-throughput nuclear magnetic resonance-based screening
-
Hajduk, P. J.; Gerfin, T.; Boehlen, J. M.; Haberli, M.; Marek, D.; Fesik, S. W. High-throughput nuclear magnetic resonance-based screening. J. Med. Chem., 1999, 42, 2315-2317.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 2315-2317
-
-
Hajduk, P.J.1
Gerfin, T.2
Boehlen, J.M.3
Haberli, M.4
Marek, D.5
Fesik, S.W.6
-
67
-
-
10744222300
-
RAMPED-UP NMR: Multiplexed NMR-based screening for drug discovery
-
Zartler, E. R.; Hanson, J.; Jones, B. E.; Kline, A. D.; Martin, G.; Mo, H.; Shapiro, M. J.; Wang, R.; Wu, H.; Yan, J. RAMPED-UP NMR: multiplexed NMR-based screening for drug discovery. J. Am. Chem. Soc., 2003, 125, 10941-10946.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 10941-10946
-
-
Zartler, E.R.1
Hanson, J.2
Jones, B.E.3
Kline, A.D.4
Martin, G.5
Mo, H.6
Shapiro, M.J.7
Wang, R.8
Wu, H.9
Yan, J.10
-
68
-
-
50249176459
-
NMR screening for lead compounds using tryptophan-mutated proteins
-
Rothweiler, U.; Czarna, A.; Weber, L.; Popowicz, G. M.; Brongel, K.; Kowalska, K.; Orth, M.; Stemmann, O.; Holak, T. A. NMR screening for lead compounds using tryptophan-mutated proteins. J. Med. Chem., 2008, 51, 5035-5042.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 5035-5042
-
-
Rothweiler, U.1
Czarna, A.2
Weber, L.3
Popowicz, G.M.4
Brongel, K.5
Kowalska, K.6
Orth, M.7
Stemmann, O.8
Holak, T.A.9
-
69
-
-
50249108644
-
Isoquinolin-1-one inhibitors of the MDM2-p53 interaction
-
Rothweiler, U.; Czarna, A.; Krajewski, M.; Ciombor, J.; Kalinski, C.; Khazak, V.; Ross, G.; Skobeleva, N.; Weber, L.; Holak, T. A. Isoquinolin-1-one inhibitors of the MDM2-p53 interaction. Chem. Med. Chem., 2008, 3, 1118-1128.
-
(2008)
Chem. Med. Chem.
, vol.3
, pp. 1118-1128
-
-
Rothweiler, U.1
Czarna, A.2
Krajewski, M.3
Ciombor, J.4
Kalinski, C.5
Khazak, V.6
Ross, G.7
Skobeleva, N.8
Weber, L.9
Holak, T.A.10
-
70
-
-
0037433548
-
Use of selective Trp side chain labeling to characterize protein-protein and protein-ligand interactions by NMR spectroscopy
-
Rodriguez-Mias, R. A.; Pellecchia, M. Use of selective Trp side chain labeling to characterize protein-protein and protein-ligand interactions by NMR spectroscopy. J. Am. Chem. Soc., 2003, 125, 2892-2893.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 2892-2893
-
-
Rodriguez-Mias, R.A.1
Pellecchia, M.2
-
71
-
-
25444487775
-
Monitoring the effects of antagonists on proteinprotein interactions with NMR spectroscopy
-
D'Silva, L.; Ozdowy, P.; Krajewski, M.; Rothweiler, U.; Singh, M.; Holak, T. A. Monitoring the effects of antagonists on proteinprotein interactions with NMR spectroscopy. J. Am. Chem. Soc., 2005, 127, 13220-13226.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 13220-13226
-
-
D'Silva, L.1
Ozdowy, P.2
Krajewski, M.3
Rothweiler, U.4
Singh, M.5
Holak, T.A.6
-
72
-
-
34548479021
-
An NMR-based antagonist induced dissociation assay for targeting the ligand-protein and protein-protein interactions in competition binding experiments
-
Krajewski, M.; Rothweiler, U.; D'Silva, L.; Majumdar, S.; Klein, C.; Holak, T. A. An NMR-based antagonist induced dissociation assay for targeting the ligand-protein and protein-protein interactions in competition binding experiments. J. Med. Chem., 2007, 50, 4382-4387.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 4382-4387
-
-
Krajewski, M.1
Rothweiler, U.2
D'Silva, L.3
Majumdar, S.4
Klein, C.5
Holak, T.A.6
-
73
-
-
0028876191
-
Studies of the bound conformations of methyl alpha-lactoside and methyl betaallolactoside to ricin B chain using transferred NOE experiments in the laboratory and rotating frames, assisted by molecular mechanics and dynamics calculations
-
Asensio, J. L.; Canada, F. J.; Jimenez-Barbero, J. Studies of the bound conformations of methyl alpha-lactoside and methyl betaallolactoside to ricin B chain using transferred NOE experiments in the laboratory and rotating frames, assisted by molecular mechanics and dynamics calculations. Eur. J. Biochem., 1995, 233, 618-630.
-
(1995)
Eur. J. Biochem.
, vol.233
, pp. 618-630
-
-
Asensio, J.L.1
Canada, F.J.2
Jimenez-Barbero, J.3
-
74
-
-
37349039003
-
Nuclear magnetic resonance fragment-based identification of novel FKBP12 inhibitors
-
Stebbins, J. L.; Zhang, Z.; Chen, J.; Wu, B.; Emdadi, A.; Williams, M. E.; Cashman, J.; Pellecchia, M. Nuclear magnetic resonance fragment-based identification of novel FKBP12 inhibitors. J. Med. Chem., 2007, 50, 6607-6617.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 6607-6617
-
-
Stebbins, J.L.1
Zhang, Z.2
Chen, J.3
Wu, B.4
Emdadi, A.5
Williams, M.E.6
Cashman, J.7
Pellecchia, M.8
-
75
-
-
67650717805
-
Apogossypol derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins
-
Wei, J.; Kitada, S.; Rega, M. F.; Stebbins, J. L.; Zhai, D.; Cellitti, J.; Yuan, H.; Emdadi, A.; Dahl, R.; Zhang, Z.; Yang, L.; Reed, J. C.; Pellecchia, M. Apogossypol derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J. Med. Chem., 2009, 52, 4511-4523.
-
(2009)
J. Med. Chem.
, vol.52
, pp. 4511-4523
-
-
Wei, J.1
Kitada, S.2
Rega, M.F.3
Stebbins, J.L.4
Zhai, D.5
Cellitti, J.6
Yuan, H.7
Emdadi, A.8
Dahl, R.9
Zhang, Z.10
Yang, L.11
Reed, J.C.12
Pellecchia, M.13
-
76
-
-
27944482492
-
On the importance of carbohydrate-aromatic interactions for the molecular recognition of oligosaccharides by proteins: NMR studies of the structure and binding affinity of AcAMP2-like peptides with non-natural naphthyl and fluoroaromatic residues
-
Chavez, M. I.; Andreu, C.; Vidal, P.; Aboitiz, N.; Freire, F.; Groves, P.; Asensio, J. L.; Asensio, G.; Muraki, M.; Canada, F. J.; Jimenez-Barbero, J. On the importance of carbohydrate-aromatic interactions for the molecular recognition of oligosaccharides by proteins: NMR studies of the structure and binding affinity of AcAMP2-like peptides with non-natural naphthyl and fluoroaromatic residues. Chemistry, 2005, 11, 7060-7074.
-
(2005)
Chemistry
, vol.11
, pp. 7060-7074
-
-
Chavez, M.I.1
Andreu, C.2
Vidal, P.3
Aboitiz, N.4
Freire, F.5
Groves, P.6
Asensio, J.L.7
Asensio, G.8
Muraki, M.9
Canada, F.J.10
Jimenez-Barbero, J.11
-
77
-
-
0034706029
-
NMR-based screening of proteins containing 13C-labeled methyl groups
-
Hajduk, P. J.; Augeri, D. J.; Mack, J.; Mendoza, R.; Yang, J.; Betz, S. F.; Fesik, S. W. NMR-based screening of proteins containing 13C-labeled methyl groups. J. Am. Chem. Soc., 2000, 122, 7898-7904.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 7898-7904
-
-
Hajduk, P.J.1
Augeri, D.J.2
Mack, J.3
Mendoza, R.4
Yang, J.5
Betz, S.F.6
Fesik, S.W.7
-
78
-
-
3943074512
-
Nuclear magnetic resonance spectroscopy of high-molecular-weight proteins
-
Tugarinov, V.; Hwang, P. M.; Kay, L. E. Nuclear magnetic resonance spectroscopy of high-molecular-weight proteins. Annu. Rev. Biochem., 2004, 73, 107-146.
-
(2004)
Annu. Rev. Biochem.
, vol.73
, pp. 107-146
-
-
Tugarinov, V.1
Hwang, P.M.2
Kay, L.E.3
-
79
-
-
37849041010
-
A new labeling method for methyl transverse relaxation-optimized spectroscopy NMR spectra of alanine residues
-
Isaacson, R. L.; Simpson, P. J.; Liu, M.; Cota, E.; Zhang, X.; Freemont, P.; Matthews, S. A new labeling method for methyl transverse relaxation-optimized spectroscopy NMR spectra of alanine residues. J. Am. Chem. Soc., 2007, 129, 15428-15429.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 15428-15429
-
-
Isaacson, R.L.1
Simpson, P.J.2
Liu, M.3
Cota, E.4
Zhang, X.5
Freemont, P.6
Matthews, S.7
-
80
-
-
0030589110
-
Use of deuterium labeling in NMR: Overcoming a sizeable problem
-
Sattler, M.; Fesik, S. W. Use of deuterium labeling in NMR: overcoming a sizeable problem. Structure, 1996, 4, 1245-1249.
-
(1996)
Structure
, vol.4
, pp. 1245-1249
-
-
Sattler, M.1
Fesik, S.W.2
-
81
-
-
0030612833
-
Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution
-
Pervushin, K.; Riek, R.; Wider, G.; Wuthrich, K. Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution. Proc. Natl. Acad. Sci. USA, 1997, 94, 12366-12371.
-
(1997)
Proc. Natl. Acad. Sci. USA
, vol.94
, pp. 12366-12371
-
-
Pervushin, K.1
Riek, R.2
Wider, G.3
Wuthrich, K.4
-
82
-
-
0036821028
-
The consequences of translational and rotational entropy lost by small molecules on binding to proteins
-
Murray, C. W.; Verdonk, M. L. The consequences of translational and rotational entropy lost by small molecules on binding to proteins. J. Comput. Aided. Mol. Des., 2002, 16, 741-753.
-
(2002)
J. Comput. Aided. Mol. Des.
, vol.16
, pp. 741-753
-
-
Murray, C.W.1
Verdonk, M.L.2
-
83
-
-
0033341062
-
NMR-based screening in drug discovery
-
Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. NMR-based screening in drug discovery. Q. Rev. Biophys., 1999, 32, 211-240.
-
(1999)
Q. Rev. Biophys.
, vol.32
, pp. 211-240
-
-
Hajduk, P.J.1
Meadows, R.P.2
Fesik, S.W.3
-
84
-
-
0033636878
-
Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations
-
McCoy, M. A.; Wyss, D. F. Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations. J. Biomol. NMR, 2000, 18, 189-198.
-
(2000)
J. Biomol. NMR
, vol.18
, pp. 189-198
-
-
McCoy, M.A.1
Wyss, D.F.2
-
85
-
-
0037138678
-
A novel approach for characterizing protein ligand complexes: Molecular basis for specificity of smallmolecule Bcl-2 inhibitors
-
Lugovskoy, A. A.; Degterev, A. I.; Fahmy, A. F.; Zhou, P.; Gross, J. D.; Yuan, J.; Wagner, G. A novel approach for characterizing protein ligand complexes: molecular basis for specificity of smallmolecule Bcl-2 inhibitors. J. Am. Chem. Soc., 2002, 124, 1234-1240.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 1234-1240
-
-
Lugovskoy, A.A.1
Degterev, A.I.2
Fahmy, A.F.3
Zhou, P.4
Gross, J.D.5
Yuan, J.6
Wagner, G.7
-
86
-
-
43049083331
-
Determination of protein-ligand binding modes using complexation-induced changes in 1H NMR chemical shift
-
Cioffi, M.; Hunter, C. A.; Packer, M. J.; Spitaleri, A. Determination of protein-ligand binding modes using complexation-induced changes in 1H NMR chemical shift. J. Med. Chem., 2008, 51, 2512-2517.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2512-2517
-
-
Cioffi, M.1
Hunter, C.A.2
Packer, M.J.3
Spitaleri, A.4
-
87
-
-
0037009985
-
Spatial localization of ligand binding sites from electron current density surfaces calculated from NMR chemical shift perturbations
-
McCoy, M. A.; Wyss, D. F. Spatial localization of ligand binding sites from electron current density surfaces calculated from NMR chemical shift perturbations. J. Am. Chem. Soc., 2002, 124, 11758-11763.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11758-11763
-
-
McCoy, M.A.1
Wyss, D.F.2
-
88
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol., 1997, 267, 727-748.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
89
-
-
0032976814
-
Complexation-Induced Changes in 1H NMR Chemical Shift for Supramolecular Structure Determination
-
Hunter, C. A.; Packer, M. J. Complexation-Induced Changes in 1H NMR Chemical Shift for Supramolecular Structure Determination. Chem.- A Euro. J., 1999, 5, 1891-1897.
-
(1999)
Chem.- A Euro. J.
, vol.5
, pp. 1891-1897
-
-
Hunter, C.A.1
Packer, M.J.2
-
90
-
-
40149093773
-
Rapid protein-ligand costructures using chemical shift perturbations
-
Stark, J.; Powers, R. Rapid protein-ligand costructures using chemical shift perturbations. J. Am. Chem. Soc., 2008, 130, 535-545.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 535-545
-
-
Stark, J.1
Powers, R.2
-
91
-
-
70349932423
-
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
-
NA
-
Morris, G. M.; Huey, R.; Lindstrom, W.; Sanner, M. F.; Belew, R. K.; Goodsell, D. S.; Olson, A. J. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem., 2009, 9999, NA.
-
(2009)
J. Comput. Chem.
, vol.9999
-
-
Morris, G.M.1
Huey, R.2
Lindstrom, W.3
Sanner, M.F.4
Belew, R.K.5
Goodsell, D.S.6
Olson, A.J.7
-
92
-
-
0034919240
-
Automated assignment of ambiguous nuclear overhauser effects with ARIA
-
Linge, J. P.; O'Donoghue, S. I.; Nilges, M. Automated assignment of ambiguous nuclear overhauser effects with ARIA. Methods Enzymol., 2001, 339, 71-90.
-
(2001)
Methods Enzymol.
, vol.339
, pp. 71-90
-
-
Linge, J.P.1
O'Donoghue, S.I.2
Nilges, M.3
-
93
-
-
0037442962
-
HADDOCK: A protein- protein docking approach based on biochemical or biophysical information
-
Dominguez, C.; Boelens, R.; Bonvin, A. M. HADDOCK: a protein- protein docking approach based on biochemical or biophysical information. J. Am. Chem. Soc., 2003, 125, 1731-1737.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 1731-1737
-
-
Dominguez, C.1
Boelens, R.2
Bonvin, A.M.3
-
94
-
-
35848958773
-
Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions
-
Schumann, F. H.; Riepl, H.; Maurer, T.; Gronwald, W.; Neidig, K. P.; Kalbitzer, H. R. Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions. J. Biomol. NMR, 2007, 39, 275-289.
-
(2007)
J. Biomol. NMR
, vol.39
, pp. 275-289
-
-
Schumann, F.H.1
Riepl, H.2
Maurer, T.3
Gronwald, W.4
Neidig, K.P.5
Kalbitzer, H.R.6
-
95
-
-
0034051065
-
A novel NMR method for determining the interfaces of large proteinprotein complexes
-
Takahashi, H.; Nakanishi, T.; Kami, K.; Arata, Y.; Shimada, I. A novel NMR method for determining the interfaces of large proteinprotein complexes. Nat. Struct. Biol., 2000, 7, 220-223.
-
(2000)
Nat. Struct. Biol.
, vol.7
, pp. 220-223
-
-
Takahashi, H.1
Nakanishi, T.2
Kami, K.3
Arata, Y.4
Shimada, I.5
-
96
-
-
37249004920
-
Reaching for high-hanging fruit in drug discovery at protein-protein interfaces
-
Wells, J. A.; McClendon, C. L. Reaching for high-hanging fruit in drug discovery at protein-protein interfaces. Nature, 2007, 450, 1001-1009.
-
(2007)
Nature
, vol.450
, pp. 1001-1009
-
-
Wells, J.A.1
McClendon, C.L.2
-
98
-
-
0028042708
-
Structures of larger proteins, protein-ligand and protein-DNA complexes by multi-dimensional heteronuclear NMR
-
Clore, G. M.; Gronenborn, A. M. Structures of larger proteins, protein-ligand and protein-DNA complexes by multi-dimensional heteronuclear NMR. Prog. Biophys. Mol. Biol., 1994, 62, 153-184.
-
(1994)
Prog. Biophys. Mol. Biol.
, vol.62
, pp. 153-184
-
-
Clore, G.M.1
Gronenborn, A.M.2
-
99
-
-
0025252231
-
Heteronuclear filters in two-dimensional 1H, 1H-NMR spectroscopy: Combined use with isotope labelling for studies of macromolecular conformation and intermolecular interactions
-
Otting, G.; Wüthrich, K. Heteronuclear filters in two-dimensional 1H, 1H-NMR spectroscopy: combined use with isotope labelling for studies of macromolecular conformation and intermolecular interactions. Q. Rev. Biophys., 1990, 23, 39-96.
-
(1990)
Q. Rev. Biophys.
, vol.23
, pp. 39-96
-
-
Otting, G.1
Wüthrich, K.2
-
100
-
-
0000112965
-
Isotope-filtered NMR methods for the study of biomolecular structure and interactions
-
Breeze, A. L. Isotope-filtered NMR methods for the study of biomolecular structure and interactions. Prog. Nucl. Magn. Reson. Spectrosc., 2000, 36, 323-372.
-
(2000)
Prog. Nucl. Magn. Reson. Spectrosc.
, vol.36
, pp. 323-372
-
-
Breeze, A.L.1
-
101
-
-
0026754148
-
Conformation of two non-immunosuppressive FK506 analogs when bound to FKBP by isotope-filtered NMR
-
Petros, A. M.; Kawai, M.; Luly, J. R.; Fesik, S. W. Conformation of two non-immunosuppressive FK506 analogs when bound to FKBP by isotope-filtered NMR. FEBS Lett., 1992, 308, 309-314.
-
(1992)
FEBS Lett.
, vol.308
, pp. 309-314
-
-
Petros, A.M.1
Kawai, M.2
Luly, J.R.3
Fesik, S.W.4
-
102
-
-
33746865952
-
NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein
-
McDonnell, P. A.; Constantine, K. L.; Goldfarb, V.; Johnson, S. R.; Sulsky, R.; Magnin, D. R.; Robl, J. A.; Caulfield, T. J.; Parker, R. A.; Taylor, D. S.; Adam, L. P.; Metzler, W. J.; Mueller, L.; Farmer, B. T., 2nd. NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein. J. Med. Chem., 2006, 49, 5013-5017.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 5013-5017
-
-
McDonnell, P.A.1
Constantine, K.L.2
Goldfarb, V.3
Johnson, S.R.4
Sulsky, R.5
Magnin, D.R.6
Robl, J.A.7
Caulfield, T.J.8
Parker, R.A.9
Taylor, D.S.10
Adam, L.P.11
Metzler, W.J.12
Mueller, L.13
Farmer II, B.T.14
-
103
-
-
14144254537
-
Solution NMR-derived global fold of a monomeric 82-kDa enzyme
-
Tugarinov, V.; Choy, W. Y.; Orekhov, V. Y.; Kay, L. E. Solution NMR-derived global fold of a monomeric 82-kDa enzyme. Proc. Natl. Acad. Sci. USA, 2005, 102, 622-627.
-
(2005)
Proc. Natl. Acad. Sci. USA
, vol.102
, pp. 622-627
-
-
Tugarinov, V.1
Choy, W.Y.2
Orekhov, V.Y.3
Kay, L.E.4
-
104
-
-
0034809894
-
SEA-TROSY (Solvent Exposed Amides with TROSY): A Method to Resolve the Problem of Spectral Overlap in Very Large Proteins
-
Pellecchia, M.; Meininger, D.; Shen, A. L.; Jack, R.; Kasper, C. B.; Sem, D. S. SEA-TROSY (Solvent Exposed Amides with TROSY): A Method to Resolve the Problem of Spectral Overlap in Very Large Proteins. J. Am. Chem. Soc., 2001, 123, 4633-4634.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 4633-4634
-
-
Pellecchia, M.1
Meininger, D.2
Shen, A.L.3
Jack, R.4
Kasper, C.B.5
Sem, D.S.6
-
105
-
-
0036700882
-
Clean SEA-HSQC: A method to map solvent exposed amides in large non-deuterated proteins with gradient-enhanced HSQC
-
Lin, D.; Sze, K. H.; Cui, Y.; Zhu, G. Clean SEA-HSQC: a method to map solvent exposed amides in large non-deuterated proteins with gradient-enhanced HSQC. J. Biomol. NMR, 2002, 23, 317-322.
-
(2002)
J. Biomol. NMR
, vol.23
, pp. 317-322
-
-
Lin, D.1
Sze, K.H.2
Cui, Y.3
Zhu, G.4
-
106
-
-
0000950943
-
Measurement of fast proton exchange rates in isotopically labeled compounds
-
Gemmecker, G.; Jahnke, W.; Kessler, H. Measurement of fast proton exchange rates in isotopically labeled compounds. J. Am. Chem. Soc., 1993, 115, 11620-11621.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 11620-11621
-
-
Gemmecker, G.1
Jahnke, W.2
Kessler, H.3
-
107
-
-
0036175914
-
NMR-based structural characterization of large protein-ligand interactions
-
Pellecchia, M.; Meininger, D.; Dong, Q.; Chang, E.; Jack, R.; Sem, D. S. NMR-based structural characterization of large protein-ligand interactions. J. Biomol. NMR, 2002, 22, 165-173.
-
(2002)
J. Biomol. NMR
, vol.22
, pp. 165-173
-
-
Pellecchia, M.1
Meininger, D.2
Dong, Q.3
Chang, E.4
Jack, R.5
Sem, D.S.6
-
108
-
-
0034673316
-
The use of differential chemical shifts for determining the binding site location and orientation of protein-bound ligands
-
Medek, A.; Hajduk, P. J.; Mack, J.; Fesik, S. W. The use of differential chemical shifts for determining the binding site location and orientation of protein-bound ligands. J. Am. Chem. Soc., 2000, 122, 1241-1242.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 1241-1242
-
-
Medek, A.1
Hajduk, P.J.2
Mack, J.3
Fesik, S.W.4
-
109
-
-
1542366711
-
SOS-NMR: A saturation transfer NMR-based method for determining the structures of protein-ligand complexes
-
Hajduk, P. J.; Mack, J. C.; Olejniczak, E. T.; Park, C.; Dandliker, P. J.; Beutel, B. A. SOS-NMR: a saturation transfer NMR-based method for determining the structures of protein-ligand complexes. J. Am. Chem. Soc., 2004, 126, 2390-2398.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 2390-2398
-
-
Hajduk, P.J.1
Mack, J.C.2
Olejniczak, E.T.3
Park, C.4
Dandliker, P.J.5
Beutel, B.A.6
-
110
-
-
26944493033
-
How much NMR data is required to determine a protein-ligand complex structure?
-
Schieborr, U.; Vogtherr, M.; Elshorst, B.; Betz, M.; Grimme, S.; Pescatore, B.; Langer, T.; Saxena, K.; Schwalbe, H. How much NMR data is required to determine a protein-ligand complex structure? Chembiochem., 2005, 6, 1891-1898.
-
(2005)
Chembiochem.
, vol.6
, pp. 1891-1898
-
-
Schieborr, U.1
Vogtherr, M.2
Elshorst, B.3
Betz, M.4
Grimme, S.5
Pescatore, B.6
Langer, T.7
Saxena, K.8
Schwalbe, H.9
-
111
-
-
3543012707
-
Crystallography & NMR system: A new software suite for macromolecular structure determination
-
Brunger, A. T.; Adams, P. D.; Clore, G. M.; DeLano, W. L.; Gros, P.; Grosse-Kunstleve, R. W.; Jiang, J. S.; Kuszewski, J.; Nilges, M.; Pannu, N. S.; Read, R. J.; Rice, L. M.; Simonson, T.; Warren, G. L. Crystallography & NMR system: A new software suite for macromolecular structure determination. Acta. Crystallogr. D. Biol. Crystallogr, 1998, 54, 905-921.
-
(1998)
Acta. Crystallogr. D. Biol. Crystallogr
, vol.54
, pp. 905-921
-
-
Brunger, A.T.1
Adams, P.D.2
Clore, G.M.3
DeLano, W.L.4
Gros, P.5
Grosse-Kunstleve, R.W.6
Jiang, J.S.7
Kuszewski, J.8
Nilges, M.9
Pannu, N.S.10
Read, R.J.11
Rice, L.M.12
Simonson, T.13
Warren, G.L.14
-
112
-
-
33745131839
-
Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors
-
Kim, K. S.; Lu, S.; Cornelius, L. A.; Lombardo, L. J.; Borzilleri, R. M.; Schroeder, G. M.; Sheng, C.; Rovnyak, G.; Crews, D.; Schmidt, R. J.; Williams, D. K.; Bhide, R. S.; Traeger, S. C.; McDonnell, P. A.; Mueller, L.; Sheriff, S.; Newitt, J. A.; Pudzianowski, A. T.; Yang, Z.; Wild, R.; Lee, F. Y.; Batorsky, R.; Ryder, J. S.; Ortega-Nanos, M.; Shen, H.; Gottardis, M.; Roussell, D. L. Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors. Bioorg. Med. Chem. Lett., 2006, 16, 3937-3942.
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, pp. 3937-3942
-
-
Kim, K.S.1
Lu, S.2
Cornelius, L.A.3
Lombardo, L.J.4
Borzilleri, R.M.5
Schroeder, G.M.6
Sheng, C.7
Rovnyak, G.8
Crews, D.9
Schmidt, R.J.10
Williams, D.K.11
Bhide, R.S.12
Traeger, S.C.13
McDonnell, P.A.14
Mueller, L.15
Sheriff, S.16
Newitt, J.A.17
Pudzianowski, A.T.18
Yang, Z.19
Wild, R.20
Lee, F.Y.21
Batorsky, R.22
Ryder, J.S.23
Ortega-Nanos, M.24
Shen, H.25
Gottardis, M.26
Roussell, D.L.27
more..
-
113
-
-
67649359153
-
Assessing compound binding to the Eg5 motor domain using a thermal shift assay
-
McDonnell, P. A.; Yanchunas, J.; Newitt, J. A.; Tao, L.; Kiefer, S. E.; Ortega, M.; Kut, S.; Burford, N.; Goldfarb, V.; Duke, G. J.; Shen, H.; Metzler, W.; Doyle, M.; Chen, Z.; Tarby, C.; Borzilleri, R.; Vaccaro, W.; Gottardis, M.; Lu, S.; Crews, D.; Kim, K.; Lombardo, L.; Roussell, D. L. Assessing compound binding to the Eg5 motor domain using a thermal shift assay. Anal. Biochem., 2009, 392, 59-69.
-
(2009)
Anal. Biochem.
, vol.392
, pp. 59-69
-
-
McDonnell, P.A.1
Yanchunas, J.2
Newitt, J.A.3
Tao, L.4
Kiefer, S.E.5
Ortega, M.6
Kut, S.7
Burford, N.8
Goldfarb, V.9
Duke, G.J.10
Shen, H.11
Metzler, W.12
Doyle, M.13
Chen, Z.14
Tarby, C.15
Borzilleri, R.16
Vaccaro, W.17
Gottardis, M.18
Lu, S.19
Crews, D.20
Kim, K.21
Lombardo, L.22
Roussell, D.L.23
more..
-
114
-
-
33744913530
-
Protein-ligand NOE matching: A high-throughput method for binding pose evaluation that does not require protein NMR resonance assignments
-
Constantine, K. L.; Davis, M. E.; Metzler, W. J.; Mueller, L.; Claus, B. L. Protein-ligand NOE matching: a high-throughput method for binding pose evaluation that does not require protein NMR resonance assignments. J. Am. Chem. Soc., 2006, 128, 7252-7263.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 7252-7263
-
-
Constantine, K.L.1
Davis, M.E.2
Metzler, W.J.3
Mueller, L.4
Claus, B.L.5
-
115
-
-
53549089920
-
Multiple and single binding modes of fragment-like kinase inhibitors revealed by molecular modeling, residue type-selective protonation, and nuclear overhauser effects
-
Constantine, K. L.; Mueller, L.; Metzler, W. J.; McDonnell, P. A.; Todderud, G.; Goldfarb, V.; Fan, Y.; Newitt, J. A.; Kiefer, S. E.; Gao, M.; Tortolani, D.; Vaccaro, W.; Tokarski, J. Multiple and single binding modes of fragment-like kinase inhibitors revealed by molecular modeling, residue type-selective protonation, and nuclear overhauser effects. J. Med. Chem., 2008, 51, 6225-6229.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 6225-6229
-
-
Constantine, K.L.1
Mueller, L.2
Metzler, W.J.3
McDonnell, P.A.4
Todderud, G.5
Goldfarb, V.6
Fan, Y.7
Newitt, J.A.8
Kiefer, S.E.9
Gao, M.10
Tortolani, D.11
Vaccaro, W.12
Tokarski, J.13
-
116
-
-
4544344685
-
Pose scoring by NMR
-
Wang, B.; Raha, K.; Merz, K. M., Jr. Pose scoring by NMR. J. Am. Chem. Soc., 2004, 126, 11430-11431.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 11430-11431
-
-
Wang, B.1
Raha, K.2
Merz Jr., K.M.3
-
117
-
-
33751076241
-
Deconstructing fragment-based inhibitor discovery
-
Babaoglu, K.; Shoichet, B. K. Deconstructing fragment-based inhibitor discovery. Nat. Chem. Biol., 2006, 2, 720-723.
-
(2006)
Nat. Chem. Biol.
, vol.2
, pp. 720-723
-
-
Babaoglu, K.1
Shoichet, B.K.2
-
118
-
-
68549115383
-
Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to orally active 2-aminothieno2, 3-dpyrimidine inhibitors of the Hsp90 molecular chaperone
-
Brough, P. A.; Barril, X.; Borgognoni, J.; Chene, P.; Davies, N. G. M.; Davis, B.; Drysdale, M. J.; Dymock, B.; Eccles, S. A.; Garcia-Echeverria, C.; Fromont, C.; Hayes, A.; Hubbard, R. E.; Jordan, A. M.; Jensen, M. R.; Massey, A.; Merrett, A.; Padfield, A.; Parsons, R.; Radimerski, T.; Raynaud, F. I.; Robertson, A.; Roughley, S. D.; Schoepfer, J.; Simmonite, H.; Sharp, S. Y.; Surgenor, A.; Valenti, M.; Walls, S.; Webb, P.; Wood, M.; Workman, P.; Wright, L. Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to orally active 2-aminothieno2, 3-dpyrimidine inhibitors of the Hsp90 molecular chaperone. J. Med. Chem., 2009, 52, 4794-4809.
-
(2009)
J. Med. Chem.
, vol.52
, pp. 4794-4809
-
-
Brough, P.A.1
Barril, X.2
Borgognoni, J.3
Chene, P.4
Davies, N.G.M.5
Davis, B.6
Drysdale, M.J.7
Dymock, B.8
Eccles, S.A.9
Garcia-Echeverria, C.10
Fromont, C.11
Hayes, A.12
Hubbard, R.E.13
Jordan, A.M.14
Jensen, M.R.15
Massey, A.16
Merrett, A.17
Padfield, A.18
Parsons, R.19
Radimerski, T.20
Raynaud, F.I.21
Robertson, A.22
Roughley, S.D.23
Schoepfer, J.24
Simmonite, H.25
Sharp, S.Y.26
Surgenor, A.27
Valenti, M.28
Walls, S.29
Webb, P.30
Wood, M.31
Workman, P.32
Wright, L.33
more..
-
119
-
-
33746256604
-
Combination of cell-free expression and NMR spectroscopy as a new approach for structural investigation of membrane proteins
-
Koglin, A.; Klammt, C.; Trbovic, N.; Schwarz, D.; Schneider, B.; Schafer, B.; Lohr, F.; Bernhard, F.; Dotsch, V. Combination of cell-free expression and NMR spectroscopy as a new approach for structural investigation of membrane proteins. Magn. Reson. Chem., 2006, 44 Spec No, S17-23.
-
(2006)
Magn. Reson. Chem.
, vol.44
, Issue.SPEC NO
-
-
Koglin, A.1
Klammt, C.2
Trbovic, N.3
Schwarz, D.4
Schneider, B.5
Schafer, B.6
Lohr, F.7
Bernhard, F.8
Dotsch, V.9
-
120
-
-
33748311913
-
N-Labelled proteins by cell-free protein synthesis. Strategies for high-throughput NMR studies of proteins and protein-ligand complexes
-
Ozawa, K.; Wu, P. S.; Dixon, N. E.; Otting, G. N-Labelled proteins by cell-free protein synthesis. Strategies for high-throughput NMR studies of proteins and protein-ligand complexes. FEBS J., 2006, 273, 4154-4159.
-
(2006)
FEBS J.
, vol.273
, pp. 4154-4159
-
-
Ozawa, K.1
Wu, P.S.2
Dixon, N.E.3
Otting, G.4
-
121
-
-
33746291564
-
Cell-free expression and selective isotope labelling in protein NMR
-
Staunton, D.; Schlinkert, R.; Zanetti, G.; Colebrook, S. A.; Campbell, I. D. Cell-free expression and selective isotope labelling in protein NMR. Magn. Reson. Chem., 2006, 44 Spec No, S2-9.
-
(2006)
Magn. Reson. Chem.
, vol.44
, Issue.SPEC NO
-
-
Staunton, D.1
Schlinkert, R.2
Zanetti, G.3
Colebrook, S.A.4
Campbell, I.D.5
-
122
-
-
33747827255
-
NMR-based quality control approach for the identification of false positives and false negatives in high throughput screening
-
Dalvit, C.; Caronni, D.; Mongelli, N.; Veronesi, M.; Vulpetti, A. NMR-based quality control approach for the identification of false positives and false negatives in high throughput screening. Curr. Drug Discov. Technol., 2006, 3, 115-124.
-
(2006)
Curr. Drug Discov. Technol.
, vol.3
, pp. 115-124
-
-
Dalvit, C.1
Caronni, D.2
Mongelli, N.3
Veronesi, M.4
Vulpetti, A.5
-
123
-
-
0035692794
-
WaterLOGSY as a method for primary NMR screening: Practical aspects and range of applicability
-
Dalvit, C.; Fogliatto, G.; Stewart, A.; Veronesi, M.; Stockman, B. WaterLOGSY as a method for primary NMR screening: practical aspects and range of applicability. J. Biomol. NMR, 2001, 21, 349-359.
-
(2001)
J. Biomol. NMR
, vol.21
, pp. 349-359
-
-
Dalvit, C.1
Fogliatto, G.2
Stewart, A.3
Veronesi, M.4
Stockman, B.5
-
124
-
-
0034823890
-
Group epitope mapping by saturation transfer difference NMR to identify segments of a ligand in direct contact with a protein receptor
-
Mayer, M.; Meyer, B. Group epitope mapping by saturation transfer difference NMR to identify segments of a ligand in direct contact with a protein receptor. J. Am. Chem. Soc., 2001, 123, 6108-6117.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 6108-6117
-
-
Mayer, M.1
Meyer, B.2
-
125
-
-
57549085603
-
Estimating protein-ligand binding affinity using high-throughput screening by NMR
-
Shortridge, M. D.; Hage, D. S.; Harbison, G. S.; Powers, R. Estimating protein-ligand binding affinity using high-throughput screening by NMR. J. Comb. Chem., 2008, 10, 948-958.
-
(2008)
J. Comb. Chem.
, vol.10
, pp. 948-958
-
-
Shortridge, M.D.1
Hage, D.S.2
Harbison, G.S.3
Powers, R.4
-
126
-
-
0037030693
-
NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: Detection of highaffinity ligands
-
Dalvit, C.; Fasolini, M.; Flocco, M.; Knapp, S.; Pevarello, P.; Veronesi, M. NMR-Based screening with competition water-ligand observed via gradient spectroscopy experiments: detection of highaffinity ligands. J. Med. Chem., 2002, 45, 2610-2614.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2610-2614
-
-
Dalvit, C.1
Fasolini, M.2
Flocco, M.3
Knapp, S.4
Pevarello, P.5
Veronesi, M.6
-
127
-
-
10944256235
-
Competition STD NMR for the detection of high-affinity ligands and NMR-based screening
-
Wang, Y. S.; Liu, D.; Wyss, D. F. Competition STD NMR for the detection of high-affinity ligands and NMR-based screening. Magn. Reson. Chem., 2004, 42, 485-489.
-
(2004)
Magn. Reson. Chem.
, vol.42
, pp. 485-489
-
-
Wang, Y.S.1
Liu, D.2
Wyss, D.F.3
-
128
-
-
58049213848
-
Competition saturation transfer difference experiments improved with isotope editing and filtering schemes in NMR-based screening
-
Feher, K.; Groves, P.; Batta, G.; Jimenez-Barbero, J.; Muhle-Goll, C.; Kover, K. E. Competition saturation transfer difference experiments improved with isotope editing and filtering schemes in NMR-based screening. J. Am. Chem. Soc., 2008, 130, 17148-17153.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 17148-17153
-
-
Feher, K.1
Groves, P.2
Batta, G.3
Jimenez-Barbero, J.4
Muhle-Goll, C.5
Kover, K.E.6
-
129
-
-
0036893645
-
Fluorine- NMR competition binding experiments for high-throughput screening of large compound mixtures
-
Dalvit, C.; Flocco, M.; Veronesi, M.; Stockman, B. J. Fluorine- NMR competition binding experiments for high-throughput screening of large compound mixtures. Comb. Chem. High Throughput Screen, 2002, 5, 605-611.
-
(2002)
Comb. Chem. High Throughput Screen
, vol.5
, pp. 605-611
-
-
Dalvit, C.1
Flocco, M.2
Veronesi, M.3
Stockman, B.J.4
-
130
-
-
70349923663
-
Ranking of highaffinity ligands by NMR spectroscopy
-
Zhang, X.; Sanger, A.; Hemmig, R.; Jahnke, W. Ranking of highaffinity ligands by NMR spectroscopy. Angew Chem. Int. Ed. Engl., 2009, 48, 6691-6694.
-
(2009)
Angew Chem. Int. Ed. Engl.
, vol.48
, pp. 6691-6694
-
-
Zhang, X.1
Sanger, A.2
Hemmig, R.3
Jahnke, W.4
-
131
-
-
0031576702
-
One-dimensional relaxation- and diffusion-edited NMR methods for screening compounds that bind to macromolecules
-
Hajduk, P. J.; Olejniczak, E. T.; Fesik, S. W. One-dimensional relaxation- and diffusion-edited NMR methods for screening compounds that bind to macromolecules. J. Am. Chem. Soc., 1997, 119, 12257-12261.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 12257-12261
-
-
Hajduk, P.J.1
Olejniczak, E.T.2
Fesik, S.W.3
-
132
-
-
0001174635
-
Diffusion-Edited NMRAffinity NMR for Direct Observation of Molecular Interactions
-
Lin, M.; Shapiro, M. J.; Wareing, J. R. Diffusion-Edited NMRAffinity NMR for Direct Observation of Molecular Interactions. J. Am. Chem. Soc., 1997, 119, 5249-5250.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5249-5250
-
-
Lin, M.1
Shapiro, M.J.2
Wareing, J.R.3
-
133
-
-
33746276198
-
An improved method for suppressing protein background in PFG NMR experiments to determine ligand diffusion coefficients in the presence of receptor
-
Becker, B. A.; Morris, K. F.; Larive, C. K. An improved method for suppressing protein background in PFG NMR experiments to determine ligand diffusion coefficients in the presence of receptor. J. Magn Reson, 2006, 181, 327-330.
-
(2006)
J. Magn Reson
, vol.181
, pp. 327-330
-
-
Becker, B.A.1
Morris, K.F.2
Larive, C.K.3
-
134
-
-
7444227835
-
Measuring ligand-protein binding using NMR diffusion experiments
-
Lucas, L. H.; Larive, C. K. Measuring ligand-protein binding using NMR diffusion experiments. Concepts Magn. Reson., 2004, 20A, 24-41.
-
(2004)
Concepts Magn. Reson.
, vol.20 A
, pp. 24-41
-
-
Lucas, L.H.1
Larive, C.K.2
-
135
-
-
70349124638
-
Design and NMR-based screening of LEF, a library of chemical fragments with different local environment of fluorine
-
Vulpetti, A.; Hommel, U.; Landrum, G.; Lewis, R.; Dalvit, C. Design and NMR-based screening of LEF, a library of chemical fragments with different local environment of fluorine. J. Am. Chem. Soc., 2009, 131, 12949-12959.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 12949-12959
-
-
Vulpetti, A.1
Hommel, U.2
Landrum, G.3
Lewis, R.4
Dalvit, C.5
-
136
-
-
0033538283
-
Detecting binding affinity to immobilized receptor proteins in compound libraries by HR-MAS STD NMR
-
Klein, J.; Meinecke, R.; Mayer, M.; Meyer, B. Detecting binding affinity to immobilized receptor proteins in compound libraries by HR-MAS STD NMR. J. Am. Chem. Soc., 1999, 121, 5336-5337.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5336-5337
-
-
Klein, J.1
Meinecke, R.2
Mayer, M.3
Meyer, B.4
-
137
-
-
14144250362
-
TINS, target immobilized NMR screening: An efficient and sensitive method for ligand discovery
-
Vanwetswinkel, S.; Heetebrij, R. J.; van Duynhoven, J.; Hollander, J. G.; Filippov, D. V.; Hajduk, P. J.; Siegal, G. TINS, target immobilized NMR screening: an efficient and sensitive method for ligand discovery. Chem. Biol., 2005, 12, 207-216.
-
(2005)
Chem. Biol.
, vol.12
, pp. 207-216
-
-
Vanwetswinkel, S.1
Heetebrij, R.J.2
van Duynhoven, J.3
Hollander, J.G.4
Filippov, D.V.5
Hajduk, P.J.6
Siegal, G.7
-
138
-
-
33747887912
-
Development of a dual cell, flow-injection sample holder, and NMR probe for comparative ligand-binding studies
-
Marquardsen, T.; Hofmann, M.; Hollander, J. G.; Loch, C. M.; Kiihne, S. R.; Engelke, F.; Siegal, G. Development of a dual cell, flow-injection sample holder, and NMR probe for comparative ligand-binding studies. J. Magn. Reson., 2006, 182, 55-65.
-
(2006)
J. Magn. Reson.
, vol.182
, pp. 55-65
-
-
Marquardsen, T.1
Hofmann, M.2
Hollander, J.G.3
Loch, C.M.4
Kiihne, S.R.5
Engelke, F.6
Siegal, G.7
-
139
-
-
0036523375
-
Spin labels as a tool to identify and characterize protein- ligand interactions by NMR spectroscopy
-
Jahnke, W. Spin labels as a tool to identify and characterize protein- ligand interactions by NMR spectroscopy. Chembiochem, 2002, 3, 167-173.
-
(2002)
Chembiochem
, vol.3
, pp. 167-173
-
-
Jahnke, W.1
-
140
-
-
0034822661
-
Spin label enhanced NMR screening
-
Jahnke, W.; Rudisser, S.; Zurini, M. Spin label enhanced NMR screening. J. Am. Chem. Soc., 2001, 123, 3149-3150.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 3149-3150
-
-
Jahnke, W.1
Rudisser, S.2
Zurini, M.3
-
141
-
-
0034596286
-
Second-site NMR screening with a spin-labeled first ligand
-
Jahnke, W.; Perez, L. B.; Paris, C. G.; Strauss, A.; Fendrich, G.; Nalin, C. M. Second-site NMR screening with a spin-labeled first ligand. J. Am. Chem. Soc., 2000, 122, 7394-7395.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 7394-7395
-
-
Jahnke, W.1
Perez, L.B.2
Paris, C.G.3
Strauss, A.4
Fendrich, G.5
Nalin, C.M.6
-
142
-
-
0037261295
-
Second-site NMR screening and linker design
-
Jahnke, W.; Florsheimer, A.; Blommers, M. J.; Paris, C. G.; Heim, J.; Nalin, C. M.; Perez, L. B. Second-site NMR screening and linker design. Curr. Top. Med. Chem., 2003, 3, 69-80.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 69-80
-
-
Jahnke, W.1
Florsheimer, A.2
Blommers, M.J.3
Paris, C.G.4
Heim, J.5
Nalin, C.M.6
Perez, L.B.7
-
143
-
-
34247592309
-
Development of molecular probes for second-site screening and design of protein tyrosine phosphatase inhibitors
-
Vazquez, J.; Tautz, L.; Ryan, J. J.; Vuori, K.; Mustelin, T.; Pellecchia, M. Development of molecular probes for second-site screening and design of protein tyrosine phosphatase inhibitors. J. Med. Chem., 2007, 50, 2137-2143.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 2137-2143
-
-
Vazquez, J.1
Tautz, L.2
Ryan, J.J.3
Vuori, K.4
Mustelin, T.5
Pellecchia, M.6
-
144
-
-
24744449809
-
Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors
-
Jahnke, W.; Blommers, M. J.; Fernandez, C.; Zwingelstein, C.; Amstutz, R. Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors. Chembiochem, 2005, 6, 1607-1610.
-
(2005)
Chembiochem
, vol.6
, pp. 1607-1610
-
-
Jahnke, W.1
Blommers, M.J.2
Fernandez, C.3
Zwingelstein, C.4
Amstutz, R.5
-
145
-
-
45749113037
-
Development of paramagnetic probes for molecular recognition studies in protein kinases
-
Vazquez, J.; De, S. K.; Chen, L. H.; Riel-Mehan, M.; Emdadi, A.; Cellitti, J.; Stebbins, J. L.; Rega, M. F.; Pellecchia, M. Development of paramagnetic probes for molecular recognition studies in protein kinases. J. Med. Chem., 2008, 51, 3460-3465.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 3460-3465
-
-
Vazquez, J.1
De, S.K.2
Chen, L.H.3
Riel-Mehan, M.4
Emdadi, A.5
Cellitti, J.6
Stebbins, J.L.7
Rega, M.F.8
Pellecchia, M.9
-
146
-
-
68049108497
-
NMR second site screening for structure determination of ligands bound in the hydrophobic pocket of HIV-1 gp41
-
Balogh, E.; Wu, D.; Zhou, G.; Gochin, M. NMR second site screening for structure determination of ligands bound in the hydrophobic pocket of HIV-1 gp41. J. Am. Chem. Soc., 2009, 131, 2821-2823.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 2821-2823
-
-
Balogh, E.1
Wu, D.2
Zhou, G.3
Gochin, M.4
-
147
-
-
35548943472
-
Elucidating transient macromolecular interactions using paramagnetic relaxation enhancement
-
Clore, G. M.; Tang, C.; Iwahara, J. Elucidating transient macromolecular interactions using paramagnetic relaxation enhancement. Curr. Opin. Struct. Biol., 2007, 17, 603-616.
-
(2007)
Curr. Opin. Struct. Biol.
, vol.17
, pp. 603-616
-
-
Clore, G.M.1
Tang, C.2
Iwahara, J.3
-
148
-
-
0015909087
-
Nuclear magnetic resonance studies of the interaction of peptides and hormones with bovine neurophysin
-
Balaram, P.; Bothner-By, A. A.; Breslow, E. Nuclear magnetic resonance studies of the interaction of peptides and hormones with bovine neurophysin. Biochemistry, 1973, 12, 4695-4704.
-
(1973)
Biochemistry
, vol.12
, pp. 4695-4704
-
-
Balaram, P.1
Bothner-By, A.A.2
Breslow, E.3
-
149
-
-
0001342923
-
Theory of the time dependent transferred nuclear overhauser effect: Applications to structural analysis of ligand-protein complexes in solution
-
Clore, G. M.; Gronenborn, A. M. Theory of the time dependent transferred nuclear overhauser effect: applications to structural analysis of ligand-protein complexes in solution. J. Magn. Reson., 1983, 53, 423-442.
-
(1983)
J. Magn. Reson.
, vol.53
, pp. 423-442
-
-
Clore, G.M.1
Gronenborn, A.M.2
-
150
-
-
0030917461
-
Screening mixtures for biological activity by NMR
-
Meyer, B.; Weimar, T.; Peters, T. Screening mixtures for biological activity by NMR. Eur. J. Biochem., 1997, 246, 705-709.
-
(1997)
Eur. J. Biochem.
, vol.246
, pp. 705-709
-
-
Meyer, B.1
Weimar, T.2
Peters, T.3
-
151
-
-
16444368863
-
Screening by NMR: A new approach for the study of bioactive natural products? The example of Pleurotus ostreatus hot water extract
-
Politi, M.; Chávez, M. I.; Cañada, F. J.; Jiménez-Barbero, J. Screening by NMR: A new approach for the study of bioactive natural products? The example of Pleurotus ostreatus hot water extract. Eur. J. Org. Chem., 2005, 2005, 1392-1396.
-
(2005)
Eur. J. Org. Chem.
, vol.2005
, pp. 1392-1396
-
-
Politi, M.1
Chávez, M.I.2
Cañada, F.J.3
Jiménez-Barbero, J.4
-
152
-
-
37849036586
-
Transferred-NOE NMR experiments on intact human platelets: Receptor-bound conformation of RGDpeptide mimics
-
Potenza, D.; Belvisi, L. Transferred-NOE NMR experiments on intact human platelets: receptor-bound conformation of RGDpeptide mimics. Org. Biomol. Chem., 2008, 6, 258-262.
-
(2008)
Org. Biomol. Chem.
, vol.6
, pp. 258-262
-
-
Potenza, D.1
Belvisi, L.2
-
153
-
-
0141987859
-
Exchange-transferred NOE spectroscopy and bound ligand structure determination
-
Post, C. B. Exchange-transferred NOE spectroscopy and bound ligand structure determination. Curr. Opin. Struct. Biol., 2003, 13, 581-588.
-
(2003)
Curr. Opin. Struct. Biol.
, vol.13
, pp. 581-588
-
-
Post, C.B.1
-
154
-
-
0030894827
-
The conformation of NAD+ bound to lactate dehydrogenase determined by nuclear magnetic resonance with suppression of spin diffusion
-
Vincent, S. J.; Zwahlen, C.; Post, C. B.; Burgner, J. W.; Bodenhausen, G. The conformation of NAD+ bound to lactate dehydrogenase determined by nuclear magnetic resonance with suppression of spin diffusion. Proc. Natl. Acad. Sci. USA, 1997, 94, 4383-4388.
-
(1997)
Proc. Natl. Acad. Sci. USA
, vol.94
, pp. 4383-4388
-
-
Vincent, S.J.1
Zwahlen, C.2
Post, C.B.3
Burgner, J.W.4
Bodenhausen, G.5
-
155
-
-
0039112253
-
Free and protein-bound carbohydrate structures
-
Jimenez-Barbero, J.; Asensio, J. L.; Canada, F. J.; Poveda, A. Free and protein-bound carbohydrate structures. Curr. Opin. Struct. Biol., 1999, 9, 549-555.
-
(1999)
Curr. Opin. Struct. Biol.
, vol.9
, pp. 549-555
-
-
Jimenez-Barbero, J.1
Asensio, J.L.2
Canada, F.J.3
Poveda, A.4
-
156
-
-
0141987855
-
New structural insights into carbohydrate-protein interactions from NMR spectroscopy
-
Kogelberg, H.; Solis, D.; Jimenez-Barbero, J. New structural insights into carbohydrate-protein interactions from NMR spectroscopy. Curr. Opin. Struct. Biol., 2003, 13, 646-653.
-
(2003)
Curr. Opin. Struct. Biol.
, vol.13
, pp. 646-653
-
-
Kogelberg, H.1
Solis, D.2
Jimenez-Barbero, J.3
-
157
-
-
33745936743
-
NMR determination of the bioactive conformation of peloruside A bound to microtubules
-
Jimenez-Barbero, J.; Canales, A.; Northcote, P. T.; Buey, R. M.; Andreu, J. M.; Diaz, J. F. NMR determination of the bioactive conformation of peloruside A bound to microtubules. J. Am. Chem. Soc., 2006, 128, 8757-8765.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 8757-8765
-
-
Jimenez-Barbero, J.1
Canales, A.2
Northcote, P.T.3
Buey, R.M.4
Andreu, J.M.5
Diaz, J.F.6
-
158
-
-
53849091740
-
The bound conformation of microtubule-stabilizing agents: NMR insights into the bioactive 3D structure of discodermolide and dictyostatin
-
Canales, A.; Matesanz, R.; Gardner, N. M.; Andreu, J. M.; Paterson, I.; Diaz, J. F.; Jimenez-Barbero, J. The bound conformation of microtubule-stabilizing agents: NMR insights into the bioactive 3D structure of discodermolide and dictyostatin. Chem.-A Euro. J., 2008, 14, 7557-7569.
-
(2008)
Chem.-A Euro. J.
, vol.14
, pp. 7557-7569
-
-
Canales, A.1
Matesanz, R.2
Gardner, N.M.3
Andreu, J.M.4
Paterson, I.5
Diaz, J.F.6
Jimenez-Barbero, J.7
-
159
-
-
0033963395
-
NOE Pumping. 2. A high-throughput method to determine compounds with binding affinity to macromolecules by NMR
-
Chen, A.; Shapiro, M. J. NOE Pumping. 2. A high-throughput method to determine compounds with binding affinity to macromolecules by NMR. J. Am. Chem. Soc., 2000, 122, 414-415.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 414-415
-
-
Chen, A.1
Shapiro, M.J.2
-
160
-
-
0032494393
-
NOE Pumping: A novel NMR technique for identification of compounds with binding affinity to macromolecules
-
Chen, A.; Shapiro, M. J. NOE Pumping: A novel NMR technique for identification of compounds with binding affinity to macromolecules. J. Am. Chem. Soc., 1998, 120, 10258-10259.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 10258-10259
-
-
Chen, A.1
Shapiro, M.J.2
-
161
-
-
0032830041
-
The inter-ligand Overhauser effect: A powerful new NMR approach for mapping structural relationships of macromolecular ligands
-
Li, D.; DeRose, E. F.; London, R. E. The inter-ligand Overhauser effect: a powerful new NMR approach for mapping structural relationships of macromolecular ligands. J. Biomol. NMR, 1999, 15, 71-76.
-
(1999)
J. Biomol. NMR
, vol.15
, pp. 71-76
-
-
Li, D.1
DeRose, E.F.2
London, R.E.3
-
162
-
-
0033257882
-
Theoretical analysis of the interligand overhauser effect: A new approach for happing structural relationships of macromolecular ligands
-
London, R.E. Theoretical analysis of the interligand overhauser effect: a new approach for happing structural relationships of macromolecular ligands. J. Magn. Reson., 1999, 141, 301-311.
-
(1999)
J. Magn. Reson.
, vol.141
, pp. 301-311
-
-
London, R.E.1
-
163
-
-
4344616982
-
Targeting apoptosis via chemical design: Inhibition of bid-induced cell death by small organic molecules
-
Becattini, B.; Sareth, S.; Zhai, D.; Crowell, K. J.; Leone, M.; Reed, J. C.; Pellecchia, M. Targeting apoptosis via chemical design: inhibition of bid-induced cell death by small organic molecules. Chem. Biol., 2004, 11, 1107-1117.
-
(2004)
Chem. Biol.
, vol.11
, pp. 1107-1117
-
-
Becattini, B.1
Sareth, S.2
Zhai, D.3
Crowell, K.J.4
Leone, M.5
Reed, J.C.6
Pellecchia, M.7
-
164
-
-
33645302925
-
SAR by ILOEs: An NMR-based approach to reverse chemical genetics
-
Becattini, B.; Pellecchia, M. SAR by ILOEs: an NMR-based approach to reverse chemical genetics. Chemistry, 2006, 12, 2658-2662.
-
(2006)
Chemistry
, vol.12
, pp. 2658-2662
-
-
Becattini, B.1
Pellecchia, M.2
-
165
-
-
33747595206
-
Structure-activity relationships by interligand NOEbased design and synthesis of antiapoptotic compounds targeting Bid
-
Becattini, B.; Culmsee, C.; Leone, M.; Zhai, D.; Zhang, X.; Crowell, K. J.; Rega, M. F.; Landshamer, S.; Reed, J. C.; Plesnila, N.; Pellecchia, M. Structure-activity relationships by interligand NOEbased design and synthesis of antiapoptotic compounds targeting Bid. Proc. Natl. Acad. Sci. USA, 2006, 103, 12602-12606.
-
(2006)
Proc. Natl. Acad. Sci. USA
, vol.103
, pp. 12602-12606
-
-
Becattini, B.1
Culmsee, C.2
Leone, M.3
Zhai, D.4
Zhang, X.5
Crowell, K.J.6
Rega, M.F.7
Landshamer, S.8
Reed, J.C.9
Plesnila, N.10
Pellecchia, M.11
-
166
-
-
34347375364
-
A fragment-based approach for the discovery of isoform-specific p38alpha inhibitors
-
Chen, J.; Zhang, Z.; Stebbins, J. L.; Zhang, X.; Hoffman, R.; Moore, A.; Pellecchia, M. A fragment-based approach for the discovery of isoform-specific p38alpha inhibitors. ACS Chem. Biol., 2007, 2, 329-336.
-
(2007)
ACS Chem. Biol.
, vol.2
, pp. 329-336
-
-
Chen, J.1
Zhang, Z.2
Stebbins, J.L.3
Zhang, X.4
Hoffman, R.5
Moore, A.6
Pellecchia, M.7
-
167
-
-
22144454299
-
The INPHARMA method: Proteinmediated interligand NOEs for pharmacophore mapping
-
Sanchez-Pedregal, V. M.; Reese, M.; Meiler, J.; Blommers, M. J.; Griesinger, C.; Carlomagno, T. The INPHARMA method: proteinmediated interligand NOEs for pharmacophore mapping. Angew. Chem. Int. Ed. Engl., 2005, 44, 4172-4175.
-
(2005)
Angew. Chem. Int. Ed. Engl.
, vol.44
, pp. 4172-4175
-
-
Sanchez-Pedregal, V.M.1
Reese, M.2
Meiler, J.3
Blommers, M.J.4
Griesinger, C.5
Carlomagno, T.6
-
168
-
-
68049093935
-
The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method
-
Orts, J.; Griesinger, C.; Carlomagno, T. The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method. J. Magn. Reson., 2009, 200(1), 64-73.
-
(2009)
J. Magn. Reson.
, vol.200
, Issue.1
, pp. 64-73
-
-
Orts, J.1
Griesinger, C.2
Carlomagno, T.3
-
169
-
-
47249144369
-
The 5S subunit of transcarboxylase interacts with free biotin as studied by transferred-NOESY and Saturation Transfer Difference NMR
-
Bhat, R. K.; Berger, S. The 5S subunit of transcarboxylase interacts with free biotin as studied by transferred-NOESY and Saturation Transfer Difference NMR. Protein Pept. Lett., 2008, 15, 624-629.
-
(2008)
Protein Pept. Lett.
, vol.15
, pp. 624-629
-
-
Bhat, R.K.1
Berger, S.2
-
170
-
-
0642377296
-
Saturation transfer difference NMR spectroscopy for identifying ligand epitopes and binding specificities
-
Meyer, B.; Klein, J.; Mayer, M.; Meinecke, R.; Moller, H.; Neffe, A.; Schuster, O.; Wulfken, J.; Ding, Y.; Knaie, O.; Labbe, J.; Palcic, M. M.; Hindsgaul, O.; Wagner, B.; Ernst, B. Saturation transfer difference NMR spectroscopy for identifying ligand epitopes and binding specificities. Ernst Schering Res Found Workshop, 2004, 149-167.
-
(2004)
Ernst Schering Res Found Workshop
, pp. 149-167
-
-
Meyer, B.1
Klein, J.2
Mayer, M.3
Meinecke, R.4
Moller, H.5
Neffe, A.6
Schuster, O.7
Wulfken, J.8
Ding, Y.9
Knaie, O.10
Labbe, J.11
Palcic, M.M.12
Hindsgaul, O.13
Wagner, B.14
Ernst, B.15
-
171
-
-
0033553844
-
Characterization of ligand binding by saturation transfer difference NMR spectroscopy
-
Mayer, M.; Meyer, B. Characterization of ligand binding by saturation transfer difference NMR spectroscopy. Angew. Chem. Int. Ed., 1999, 38, 1784-1788.
-
(1999)
Angew. Chem. Int. Ed.
, vol.38
, pp. 1784-1788
-
-
Mayer, M.1
Meyer, B.2
-
172
-
-
0034725387
-
Application of NMR Based Binding Assays to Identify Key Hydroxy Groups for Intermolecular Recognition
-
Vogtherr, M.; Peters, T. Application of NMR Based Binding Assays to Identify Key Hydroxy Groups for Intermolecular Recognition. J. Am. Chem. Soc., 2000, 122, 6093-6099.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 6093-6099
-
-
Vogtherr, M.1
Peters, T.2
-
173
-
-
35048859971
-
Molecular recognition and screening using a 15N group selective STD NMR method
-
Kover, K. E.; Groves, P.; Jimenez-Barbero, J.; Batta, G. Molecular recognition and screening using a 15N group selective STD NMR method. J. Am. Chem. Soc., 2007, 129, 11579-11582.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 11579-11582
-
-
Kover, K.E.1
Groves, P.2
Jimenez-Barbero, J.3
Batta, G.4
-
174
-
-
67049171200
-
Fluorinated carbohydrates as lectin ligands: Versatile sensors in f-19-detected saturation transfer difference NMR spectroscopy
-
Diercks, T.; Ribeiro, J. P.; Canada, F. J.; Andre, S.; Jimenez-Barbero, J.; Gabius, H. J. Fluorinated carbohydrates as lectin ligands: versatile sensors in f-19-detected saturation transfer difference NMR spectroscopy. Chem.-A Eur. J., 2009, 15, 5666-5668.
-
(2009)
Chem.-A Eur. J.
, vol.15
, pp. 5666-5668
-
-
Diercks, T.1
Ribeiro, J.P.2
Canada, F.J.3
Andre, S.4
Jimenez-Barbero, J.5
Gabius, H.J.6
-
175
-
-
41449101560
-
NMR experiments reveal the molecular basis of receptor recognition by a calicivirus
-
Rademacher, C.; Krishna, N. R.; Palcic, M.; Parra, F.; Peters, T. NMR experiments reveal the molecular basis of receptor recognition by a calicivirus. J. Am. Chem. Soc., 2008, 130, 3669-3675.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 3669-3675
-
-
Rademacher, C.1
Krishna, N.R.2
Palcic, M.3
Parra, F.4
Peters, T.5
-
176
-
-
0037425531
-
Virusligand interactions: Identification and characterization of ligand binding by NMR spectroscopy
-
Benie, A. J.; Moser, R.; Bauml, E.; Blaas, D.; Peters, T. Virusligand interactions: Identification and characterization of ligand binding by NMR spectroscopy. J. Am. Chem. Soc., 2003, 125, 14-15.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 14-15
-
-
Benie, A.J.1
Moser, R.2
Bauml, E.3
Blaas, D.4
Peters, T.5
-
177
-
-
0035855877
-
Determination of the binding specificity of an integral membrane protein by saturation transfer difference NMR: RGD peptide ligands binding to integrin alphaIIbbeta3
-
Meinecke, R.; Meyer, B. Determination of the binding specificity of an integral membrane protein by saturation transfer difference NMR: RGD peptide ligands binding to integrin alphaIIbbeta3. J. Med. Chem., 2001, 44, 3059-3065.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 3059-3065
-
-
Meinecke, R.1
Meyer, B.2
-
178
-
-
11844264879
-
1D Saturation Transfer Difference NMR Experiments on Living Cells: The DC-SIGN/Oligomannose Interaction
-
Mari, S.; Serrano-Gómez, D.; Cañada, F. J.; Corbí, A. L.; Jiménez-Barbero, J. 1D Saturation Transfer Difference NMR Experiments on Living Cells: The DC-SIGN/Oligomannose Interaction. Angew. Chem. Int. Ed., 2005, 44, 296-298.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 296-298
-
-
Mari, S.1
Serrano-Gómez, D.2
Cañada, F.J.3
Corbí, A.L.4
Jiménez-Barbero, J.5
-
179
-
-
12444289530
-
Direct observation of ligand binding to membrane proteins in living cells by a saturation transfer double difference (STDD) NMR spectroscopy method shows a significantly higher affinity of integrin alpha(IIb)beta3 in native platelets than in liposomes
-
Claasen, B.; Axmann, M.; Meinecke, R.; Meyer, B. Direct observation of ligand binding to membrane proteins in living cells by a saturation transfer double difference (STDD) NMR spectroscopy method shows a significantly higher affinity of integrin alpha(IIb)beta3 in native platelets than in liposomes. J. Am. Chem. Soc., 2005, 127, 916-919.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 916-919
-
-
Claasen, B.1
Axmann, M.2
Meinecke, R.3
Meyer, B.4
-
180
-
-
65249108712
-
Functional cell-based screening and saturation transfer doubledifference nmr have identified haplosamate a as a cannabinoid receptor agonist
-
Pereira, A.; Pfeifer, T. A.; Grigliatti, T. A.; Andersen, R. J. Functional cell-based screening and saturation transfer doubledifference nmr have identified haplosamate a as a cannabinoid receptor agonist. ACS Chem. Biol., 2009, 4, 139-144.
-
(2009)
ACS Chem. Biol.
, vol.4
, pp. 139-144
-
-
Pereira, A.1
Pfeifer, T.A.2
Grigliatti, T.A.3
Andersen, R.J.4
-
181
-
-
20444412386
-
Screening of protein kinases by ATP-STD NMR spectroscopy
-
McCoy, M. A.; Senior, M. M.; Wyss, D. F. Screening of protein kinases by ATP-STD NMR spectroscopy. J. Am. Chem. Soc., 2005, 127, 7978-7979.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 7978-7979
-
-
McCoy, M.A.1
Senior, M.M.2
Wyss, D.F.3
-
182
-
-
8844239191
-
NMR backbone assignment of a protein kinase catalytic domain by a combination of several approaches: Application to the catalytic subunit of cAMP-dependent protein kinase
-
Langer, T.; Vogtherr, M.; Elshorst, B.; Betz, M.; Schieborr, U.; Saxena, K.; Schwalbe, H. NMR backbone assignment of a protein kinase catalytic domain by a combination of several approaches: application to the catalytic subunit of cAMP-dependent protein kinase. Chembiochem, 2004, 5, 1508-1516.
-
(2004)
Chembiochem
, vol.5
, pp. 1508-1516
-
-
Langer, T.1
Vogtherr, M.2
Elshorst, B.3
Betz, M.4
Schieborr, U.5
Saxena, K.6
Schwalbe, H.7
-
183
-
-
68949178561
-
Peptide NMHRYPNQ of the cellular prion protein (PrP(C)) inhibits aggregation and is a potential key for understanding prion-prion interactions
-
Rehders, D.; Claasen, B.; Redecke, L.; Buschke, A.; Reibe, C.; Jehmlich, N.; von Bergen, M.; Betzel, C.; Meyer, B. Peptide NMHRYPNQ of the cellular prion protein (PrP(C)) inhibits aggregation and is a potential key for understanding prion-prion interactions. J. Mol. Biol., 2009, 392, 198-207.
-
(2009)
J. Mol. Biol.
, vol.392
, pp. 198-207
-
-
Rehders, D.1
Claasen, B.2
Redecke, L.3
Buschke, A.4
Reibe, C.5
Jehmlich, N.6
von Bergen, M.7
Betzel, C.8
Meyer, B.9
-
184
-
-
33748122687
-
Complete relaxation and conformational exchange matrix analysis of STD-NMR spectra of ligandreceptor complexes
-
Krishna, N. R.; Jayalakshmi, V. Complete relaxation and conformational exchange matrix analysis of STD-NMR spectra of ligandreceptor complexes. Prog. Nucl. Magn. Reson. Spectrosc., 2006, 49, 1-25.
-
(2006)
Prog. Nucl. Magn. Reson. Spectrosc.
, vol.49
, pp. 1-25
-
-
Krishna, N.R.1
Jayalakshmi, V.2
-
185
-
-
0033789206
-
Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water
-
Dalvit, C.; Pevarello, P.; Tato, M.; Veronesi, M.; Vulpetti, A.; Sundstrom, M. Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water. J. Biomol. NMR, 2000, 18, 65-68.
-
(2000)
J. Biomol. NMR
, vol.18
, pp. 65-68
-
-
Dalvit, C.1
Pevarello, P.2
Tato, M.3
Veronesi, M.4
Vulpetti, A.5
Sundstrom, M.6
-
186
-
-
0030881179
-
ePHOGSY experiments on a paramagnetic protein: Location of the catalytic water molecule in the heme crevice of the oxidized form of horse heart cytochrome c
-
Bertini, I.; Dalvit, C.; Huber, J. G.; Luchinat, C.; Piccioli, M. ePHOGSY experiments on a paramagnetic protein: location of the catalytic water molecule in the heme crevice of the oxidized form of horse heart cytochrome c. FEBS Lett., 1997, 415, 45-48.
-
(1997)
FEBS Lett.
, vol.415
, pp. 45-48
-
-
Bertini, I.1
Dalvit, C.2
Huber, J.G.3
Luchinat, C.4
Piccioli, M.5
-
187
-
-
37849034596
-
SALMON: Solvent accessibility, ligand binding, and mapping of ligand orientation by NMR spectroscopy
-
Ludwig, C.; Michiels, P. J.; Wu, X.; Kavanagh, K. L.; Pilka, E.; Jansson, A.; Oppermann, U.; Gunther, U. L. SALMON: solvent accessibility, ligand binding, and mapping of ligand orientation by NMR spectroscopy. J. Med. Chem., 2008, 51, 1-3.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 1-3
-
-
Ludwig, C.1
Michiels, P.J.2
Wu, X.3
Kavanagh, K.L.4
Pilka, E.5
Jansson, A.6
Oppermann, U.7
Gunther, U.L.8
-
188
-
-
49449095044
-
Functional and biophysical analysis of the C-terminus of the CGRP-receptor; a family B GPCR
-
Conner, M.; Hicks, M. R.; Dafforn, T.; Knowles, T. J.; Ludwig, C.; Staddon, S.; Overduin, M.; Gunther, U. L.; Thome, J.; Wheatley, M.; Poyner, D. R.; Conner, A. C. Functional and biophysical analysis of the C-terminus of the CGRP-receptor; a family B GPCR. Biochemistry, 2008, 47, 8434-8444.
-
(2008)
Biochemistry
, vol.47
, pp. 8434-8444
-
-
Conner, M.1
Hicks, M.R.2
Dafforn, T.3
Knowles, T.J.4
Ludwig, C.5
Staddon, S.6
Overduin, M.7
Gunther, U.L.8
Thome, J.9
Wheatley, M.10
Poyner, D.R.11
Conner, A.C.12
-
189
-
-
54849432001
-
Evaluation of solvent accessibility epitopes for different dehydrogenase inhibitors
-
Ludwig, C.; Michiels, P. J.; Lodi, A.; Ride, J.; Bunce, C.; Gunther, U. L. Evaluation of solvent accessibility epitopes for different dehydrogenase inhibitors. Chem. Med. Chem., 2008, 3, 1371-1376.
-
(2008)
Chem. Med. Chem.
, vol.3
, pp. 1371-1376
-
-
Ludwig, C.1
Michiels, P.J.2
Lodi, A.3
Ride, J.4
Bunce, C.5
Gunther, U.L.6
-
190
-
-
70350545710
-
Ligand-based NMR spectra demonstrate an additional phytoestrogen binding site for 17beta-hydroxysteroid dehydrogenase type 1
-
Michiels, P. J.; Ludwig, C.; Stephan, M.; Fischer, C.; Moller, G.; Adamski, J.; Messinger, J.; van Dongen, M.; Thole, H.; Gunther, U. L. Ligand-based NMR spectra demonstrate an additional phytoestrogen binding site for 17beta-hydroxysteroid dehydrogenase type 1. J. Steroid Biochem. Mol. Biol., 2009, 117(4-5), 93-98.
-
(2009)
J. Steroid Biochem. Mol. Biol.
, vol.117
, Issue.4-5
, pp. 93-98
-
-
Michiels, P.J.1
Ludwig, C.2
Stephan, M.3
Fischer, C.4
Moller, G.5
Adamski, J.6
Messinger, J.7
van Dongen, M.8
Thole, H.9
Gunther, U.L.10
-
191
-
-
63449101029
-
Time efficient detection of protein-ligand interactions with the polarization optimized PO-WaterLOGSY NMR experiment
-
Gossert, A. D.; Henry, C.; Blommers, M. J.; Jahnke, W.; Fernandez, C. Time efficient detection of protein-ligand interactions with the polarization optimized PO-WaterLOGSY NMR experiment. J. Biomol. NMR, 2009, 43, 211-217.
-
(2009)
J. Biomol. NMR
, vol.43
, pp. 211-217
-
-
Gossert, A.D.1
Henry, C.2
Blommers, M.J.3
Jahnke, W.4
Fernandez, C.5
-
192
-
-
0345733978
-
Application of NMR SHAPES screening to an RNA target
-
Johnson, E. C.; Feher, V. A.; Peng, J. W.; Moore, J. M.; Williamson, J. R. Application of NMR SHAPES screening to an RNA target. J. Am. Chem. Soc., 2003, 125, 15724-15725.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 15724-15725
-
-
Johnson, E.C.1
Feher, V.A.2
Peng, J.W.3
Moore, J.M.4
Williamson, J.R.5
-
193
-
-
36049036606
-
Ligand- and substrate-based 19F NMR screening: Principles and applications to drug discovery
-
Dalvit, C. Ligand- and substrate-based 19F NMR screening: Principles and applications to drug discovery. Prog. Nucl. Magn. Reson. Spectrosc., 2007, 51, 243-271.
-
(2007)
Prog. Nucl. Magn. Reson. Spectrosc.
, vol.51
, pp. 243-271
-
-
Dalvit, C.1
-
194
-
-
0344012137
-
A general NMR method for rapid, efficient, and reliable biochemical screening
-
Dalvit, C.; Ardini, E.; Flocco, M.; Fogliatto, G. P.; Mongelli, N.; Veronesi, M. A general NMR method for rapid, efficient, and reliable biochemical screening. J. Am. Chem. Soc., 2003, 125, 14620-14625.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 14620-14625
-
-
Dalvit, C.1
Ardini, E.2
Flocco, M.3
Fogliatto, G.P.4
Mongelli, N.5
Veronesi, M.6
-
195
-
-
3142544161
-
Reliable high-throughput functional screening with 3-FABS
-
Dalvit, C.; Ardini, E.; Fogliatto, G. P.; Mongelli, N.; Veronesi, M. Reliable high-throughput functional screening with 3-FABS. Drug Discov. Today, 2004, 9, 595-602.
-
(2004)
Drug Discov. Today
, vol.9
, pp. 595-602
-
-
Dalvit, C.1
Ardini, E.2
Fogliatto, G.P.3
Mongelli, N.4
Veronesi, M.5
-
196
-
-
19944422116
-
Rapid NMR-based functional screening and IC50 measurements performed at unprecedentedly low enzyme concentration
-
Dalvit, C.; Papeo, G.; Mongelli, N.; Giordano, P.; Saccardo, B.; Costa, A.; Veronesi, M.; Ko, S. Y. Rapid NMR-based functional screening and IC50 measurements performed at unprecedentedly low enzyme concentration. Drug Dev. Res., 2005, 64, 105-113.
-
(2005)
Drug Dev. Res.
, vol.64
, pp. 105-113
-
-
Dalvit, C.1
Papeo, G.2
Mongelli, N.3
Giordano, P.4
Saccardo, B.5
Costa, A.6
Veronesi, M.7
Ko, S.Y.8
-
197
-
-
34247871283
-
Polyfluorinated amino acids for sensitive 19F NMR-based screening and kinetic measurements
-
Papeo, G.; Giordano, P.; Brasca, M. G.; Buzzo, F.; Caronni, D.; Ciprandi, F.; Mongelli, N.; Veronesi, M.; Vulpetti, A.; Dalvit, C. Polyfluorinated amino acids for sensitive 19F NMR-based screening and kinetic measurements. J. Am. Chem. Soc., 2007, 129, 5665-5672.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 5665-5672
-
-
Papeo, G.1
Giordano, P.2
Brasca, M.G.3
Buzzo, F.4
Caronni, D.5
Ciprandi, F.6
Mongelli, N.7
Veronesi, M.8
Vulpetti, A.9
Dalvit, C.10
-
198
-
-
29144526125
-
Traditional Chinese medicines with caspase-inhibitory activity
-
Fattorusso, R.; Frutos, S.; Sun, X.; Sucher, N. J.; Pellecchia, M. Traditional Chinese medicines with caspase-inhibitory activity. Phytomedicine, 2006, 13, 16-22.
-
(2006)
Phytomedicine
, vol.13
, pp. 16-22
-
-
Fattorusso, R.1
Frutos, S.2
Sun, X.3
Sucher, N.J.4
Pellecchia, M.5
-
199
-
-
34748916412
-
The natural product berberine is a human prolyl oligopeptidase inhibitor
-
Tarrago, T.; Kichik, N.; Segui, J.; Giralt, E. The natural product berberine is a human prolyl oligopeptidase inhibitor. Chem. Med. Chem., 2007, 2, 354-359.
-
(2007)
Chem. Med. Chem.
, vol.2
, pp. 354-359
-
-
Tarrago, T.1
Kichik, N.2
Segui, J.3
Giralt, E.4
-
200
-
-
33646493794
-
A fast and robust 19F NMRbased method for finding new HIV-1 protease inhibitors
-
Frutos, S.; Tarrago, T.; Giralt, E. A fast and robust 19F NMRbased method for finding new HIV-1 protease inhibitors. Bioorg. Med. Chem. Lett., 2006, 16, 2677-2681.
-
(2006)
Bioorg. Med. Chem. Lett.
, vol.16
, pp. 2677-2681
-
-
Frutos, S.1
Tarrago, T.2
Giralt, E.3
-
201
-
-
22144478634
-
Efficient synthetic inhibitors of anthrax lethal factor
-
Forino, M.; Johnson, S.; Wong, T. Y.; Rozanov, D. V.; Savinov, A. Y.; Li, W.; Fattorusso, R.; Becattini, B.; Orry, A. J.; Jung, D.; Abagyan, R. A.; Smith, J. W.; Alibek, K.; Liddington, R. C.; Strongin, A. Y.; Pellecchia, M. Efficient synthetic inhibitors of anthrax lethal factor. Proc. Natl. Acad. Sci. USA, 2005, 102, 9499-9504.
-
(2005)
Proc. Natl. Acad. Sci. USA
, vol.102
, pp. 9499-9504
-
-
Forino, M.1
Johnson, S.2
Wong, T.Y.3
Rozanov, D.V.4
Savinov, A.Y.5
Li, W.6
Fattorusso, R.7
Becattini, B.8
Orry, A.J.9
Jung, D.10
Abagyan, R.A.11
Smith, J.W.12
Alibek, K.13
Liddington, R.C.14
Strongin, A.Y.15
Pellecchia, M.16
-
202
-
-
42949144120
-
2-Fluoro-ATP as a versatile tool for 19F NMRbased activity screening
-
Stockman, B. J. 2-Fluoro-ATP as a versatile tool for 19F NMRbased activity screening. J. Am. Chem. Soc., 2008, 130, 5870-5871.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 5870-5871
-
-
Stockman, B.J.1
-
203
-
-
0035252844
-
Library design for NMR-based screening
-
Lepre, C. A. Library design for NMR-based screening. Drug Discov. Today, 2001, 6, 133-140.
-
(2001)
Drug Discov. Today
, vol.6
, pp. 133-140
-
-
Lepre, C.A.1
-
204
-
-
0037256186
-
Design of small molecule libraries for NMR screening and other applications in drug discovery
-
Jacoby, E.; Davies, J.; Blommers, M. J. Design of small molecule libraries for NMR screening and other applications in drug discovery. Curr. Top. Med. Chem., 2003, 3, 11-23.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 11-23
-
-
Jacoby, E.1
Davies, J.2
Blommers, M.J.3
-
205
-
-
10044246303
-
Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets
-
Baurin, N.; Aboul-Ela, F.; Barril, X.; Davis, B.; Drysdale, M.; Dymock, B.; Finch, H.; Fromont, C.; Richardson, C.; Simmonite, H.; Hubbard, R. E. Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets. J. Chem. Inf. Comput. Sci., 2004, 44, 2157-2166.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 2157-2166
-
-
Baurin, N.1
Aboul-Ela, F.2
Barril, X.3
Davis, B.4
Drysdale, M.5
Dymock, B.6
Finch, H.7
Fromont, C.8
Richardson, C.9
Simmonite, H.10
Hubbard, R.E.11
-
206
-
-
23844542148
-
Library design for fragment based screening
-
Schuffenhauer, A.; Ruedisser, S.; Marzinzik, A. L.; Jahnke, W.; Blommers, M.; Selzer, P.; Jacoby, E. Library design for fragment based screening. Curr. Top. Med. Chem., 2005, 5, 751-762.
-
(2005)
Curr. Top. Med. Chem.
, vol.5
, pp. 751-762
-
-
Schuffenhauer, A.1
Ruedisser, S.2
Marzinzik, A.L.3
Jahnke, W.4
Blommers, M.5
Selzer, P.6
Jacoby, E.7
-
207
-
-
36549033318
-
Integration of fragment screening and library design
-
Siegal, G.; Ab, E.; Schultz, J. Integration of fragment screening and library design. Drug Discov. Today, 2007, 12, 1032-1039.
-
(2007)
Drug Discov. Today
, vol.12
, pp. 1032-1039
-
-
Siegal, G.1
Ab, E.2
Schultz, J.3
-
209
-
-
34249094150
-
Informatics and modeling challenges in fragment-based drug discovery
-
Hubbard, R. E.; Chen, I.; Davis, B. Informatics and modeling challenges in fragment-based drug discovery. Curr. Opin. Drug Discov. Devel., 2007, 10, 289-297.
-
(2007)
Curr. Opin. Drug Discov. Devel.
, vol.10
, pp. 289-297
-
-
Hubbard, R.E.1
Chen, I.2
Davis, B.3
-
210
-
-
44949211332
-
Fragment-based activity space: Smaller is better
-
Hesterkamp, T.; Whittaker, M. Fragment-based activity space: smaller is better. Curr. Opin. Chem. Biol., 2008, 12, 260-268.
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, pp. 260-268
-
-
Hesterkamp, T.1
Whittaker, M.2
-
211
-
-
20444486559
-
An inhibitor of Bcl-2 family proteins induces regression of solid tumours
-
Oltersdorf, T.; Elmore, S. W.; Shoemaker, A. R.; Armstrong, R. C.; Augeri, D. J.; Belli, B. A.; Bruncko, M.; Deckwerth, T. L.; Dinges, J.; Hajduk, P. J.; Joseph, M. K.; Kitada, S.; Korsmeyer, S. J.; Kunzer, A. R.; Letai, A.; Li, C.; Mitten, M. J.; Nettesheim, D. G.; Ng, S.; Nimmer, P. M.; O'Connor, J. M.; Oleksijew, A.; Petros, A. M.; Reed, J. C.; Shen, W.; Tahir, S. K.; Thompson, C. B.; Tomaselli, K. J.; Wang, B.; Wendt, M. D.; Zhang, H.; Fesik, S. W.; Rosenberg, S. H. An inhibitor of Bcl-2 family proteins induces regression of solid tumours. Nature, 2005, 435, 677-681.
-
(2005)
Nature
, vol.435
, pp. 677-681
-
-
Oltersdorf, T.1
Elmore, S.W.2
Shoemaker, A.R.3
Armstrong, R.C.4
Augeri, D.J.5
Belli, B.A.6
Bruncko, M.7
Deckwerth, T.L.8
Dinges, J.9
Hajduk, P.J.10
Joseph, M.K.11
Kitada, S.12
Korsmeyer, S.J.13
Kunzer, A.R.14
Letai, A.15
Li, C.16
Mitten, M.J.17
Nettesheim, D.G.18
Ng, S.19
Nimmer, P.M.20
O'Connor, J.M.21
Oleksijew, A.22
Petros, A.M.23
Reed, J.C.24
Shen, W.25
Tahir, S.K.26
Thompson, C.B.27
Tomaselli, K.J.28
Wang, B.29
Wendt, M.D.30
Zhang, H.31
Fesik, S.W.32
Rosenberg, S.H.33
more..
-
212
-
-
41849136839
-
Novel prostaglandin D synthase inhibitors generated by fragment-based drug design
-
Hohwy, M.; Spadola, L.; Lundquist, B.; Hawtin, P.; Dahmen, J.; Groth-Clausen, I.; Nilsson, E.; Persdotter, S.; von Wachenfeldt, K.; Folmer, R. H.; Edman, K. Novel prostaglandin D synthase inhibitors generated by fragment-based drug design. J. Med. Chem., 2008, 51, 2178-2186.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2178-2186
-
-
Hohwy, M.1
Spadola, L.2
Lundquist, B.3
Hawtin, P.4
Dahmen, J.5
Groth-Clausen, I.6
Nilsson, E.7
Persdotter, S.8
von Wachenfeldt, K.9
Folmer, R.H.10
Edman, K.11
-
213
-
-
37849043411
-
Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency
-
Edwards, P. D.; Albert, J. S.; Sylvester, M.; Aharony, D.; Andisik, D.; Callaghan, O.; Campbell, J. B.; Carr, R. A.; Chessari, G.; Congreve, M.; Frederickson, M.; Folmer, R. H.; Geschwindner, S.; Koether, G.; Kolmodin, K.; Krumrine, J.; Mauger, R. C.; Murray, C. W.; Olsson, L. L.; Patel, S.; Spear, N.; Tian, G. Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency. J. Med. Chem., 2007, 50, 5912-5925.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 5912-5925
-
-
Edwards, P.D.1
Albert, J.S.2
Sylvester, M.3
Aharony, D.4
Andisik, D.5
Callaghan, O.6
Campbell, J.B.7
Carr, R.A.8
Chessari, G.9
Congreve, M.10
Frederickson, M.11
Folmer, R.H.12
Geschwindner, S.13
Koether, G.14
Kolmodin, K.15
Krumrine, J.16
Mauger, R.C.17
Murray, C.W.18
Olsson, L.L.19
Patel, S.20
Spear, N.21
Tian, G.22
more..
-
214
-
-
32544436259
-
NMR fragment screening: Advantages and applications
-
Schade, M. NMR fragment screening: Advantages and applications. IDrugs, 2006, 9, 110-113.
-
(2006)
IDrugs
, vol.9
, pp. 110-113
-
-
Schade, M.1
-
215
-
-
17844365309
-
NMR fragment screening: Tackling protein-protein interaction targets
-
Schade, M.; Oschkinat, H. NMR fragment screening: tackling protein-protein interaction targets. Curr. Opin. Drug Discov. Devel., 2005, 8, 365-373.
-
(2005)
Curr. Opin. Drug Discov. Devel.
, vol.8
, pp. 365-373
-
-
Schade, M.1
Oschkinat, H.2
-
216
-
-
9244232878
-
NMR structure of a complex between MDM2 and a small molecule inhibitor
-
Fry, D. C.; Emerson, S. D.; Palme, S.; Vu, B. T.; Liu, C. M.; Podlaski, F. NMR structure of a complex between MDM2 and a small molecule inhibitor. J. Biomol. NMR, 2004, 30, 163-173.
-
(2004)
J. Biomol. NMR
, vol.30
, pp. 163-173
-
-
Fry, D.C.1
Emerson, S.D.2
Palme, S.3
Vu, B.T.4
Liu, C.M.5
Podlaski, F.6
-
217
-
-
33748666434
-
Utilizing peptide structures as keys for unlocking challenging targets
-
Fry, D.; Sun, H. Utilizing peptide structures as keys for unlocking challenging targets. Mini Rev. Med. Chem., 2006, 6, 979-987.
-
(2006)
Mini Rev. Med. Chem.
, vol.6
, pp. 979-987
-
-
Fry, D.1
Sun, H.2
-
218
-
-
33748925426
-
Biophysical characterization of an indolinone inhibitor in the ATP-binding site of DNA gyrase
-
Oblak, M.; Grdadolnik, S. G.; Kotnik, M.; Poterszman, A.; Atkinson, R. A.; Nierengarten, H.; Desplancq, D.; Moras, D.; Solmajer, T. Biophysical characterization of an indolinone inhibitor in the ATP-binding site of DNA gyrase. Biochem. Biophys. Res. Commun., 2006, 349, 1206-1213.
-
(2006)
Biochem. Biophys. Res. Commun.
, vol.349
, pp. 1206-1213
-
-
Oblak, M.1
Grdadolnik, S.G.2
Kotnik, M.3
Poterszman, A.4
Atkinson, R.A.5
Nierengarten, H.6
Desplancq, D.7
Moras, D.8
Solmajer, T.9
-
219
-
-
13344280929
-
New approaches for NMR screening in drug discovery
-
Fernández, C.; Jahnke, W. New approaches for NMR screening in drug discovery. Drug Discov. Today Technol., 2004, 1, 277-283.
-
(2004)
Drug Discov. Today Technol.
, vol.1
, pp. 277-283
-
-
Fernández, C.1
Jahnke, W.2
-
220
-
-
58849093668
-
Identification of allosteric PIF-pocket ligands for PDK1 using NMR-based fragment screening and 1H- 15N TROSY experiments
-
Stockman, B. J.; Kothe, M.; Kohls, D.; Weibley, L.; Connolly, B. J.; Sheils, A. L.; Cao, Q.; Cheng, A. C.; Yang, L.; Kamath, A. V.; Ding, Y. H.; Charlton, M. E. Identification of allosteric PIF-pocket ligands for PDK1 using NMR-based fragment screening and 1H- 15N TROSY experiments. Chem. Biol. Drug Des., 2009, 73, 179-188.
-
(2009)
Chem. Biol. Drug Des.
, vol.73
, pp. 179-188
-
-
Stockman, B.J.1
Kothe, M.2
Kohls, D.3
Weibley, L.4
Connolly, B.J.5
Sheils, A.L.6
Cao, Q.7
Cheng, A.C.8
Yang, L.9
Kamath, A.V.10
Ding, Y.H.11
Charlton, M.E.12
-
221
-
-
2342652311
-
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening
-
Wyss, D. F.; Arasappan, A.; Senior, M. M.; Wang, Y. S.; Beyer, B. M.; Njoroge, F. G.; McCoy, M. A. Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. J. Med. Chem., 2004, 47, 2486-2498.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 2486-2498
-
-
Wyss, D.F.1
Arasappan, A.2
Senior, M.M.3
Wang, Y.S.4
Beyer, B.M.5
Njoroge, F.G.6
McCoy, M.A.7
-
222
-
-
0036892232
-
Applications of SHAPES screening in drug discovery
-
Lepre, C. A.; Peng, J.; Fejzo, J.; Abdul-Manan, N.; Pocas, J.; Jacobs, M.; Xie, X.; Moore, J. M. Applications of SHAPES screening in drug discovery. Comb. Chem. High Throughput Screen, 2002, 5, 583-590.
-
(2002)
Comb. Chem. High Throughput Screen
, vol.5
, pp. 583-590
-
-
Lepre, C.A.1
Peng, J.2
Fejzo, J.3
Abdul-Manan, N.4
Pocas, J.5
Jacobs, M.6
Xie, X.7
Moore, J.M.8
-
223
-
-
0037256273
-
Application of NMR screening in drug discovery
-
Fejzo, J.; Lepre, C.; Xie, X. Application of NMR screening in drug discovery. Curr. Top. Med. Chem., 2003, 3, 81-97.
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 81-97
-
-
Fejzo, J.1
Lepre, C.2
Xie, X.3
-
224
-
-
33750067690
-
Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design
-
Tsao, D. H.; Sutherland, A. G.; Jennings, L. D.; Li, Y.; Rush, T. S., 3rd; Alvarez, J. C.; Ding, W.; Dushin, E. G.; Dushin, R. G.; Haney, S. A.; Kenny, C. H.; Malakian, A. K.; Nilakantan, R.; Mosyak, L. Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design. Bioorg. Med. Chem., 2006, 14, 7953-7961.
-
(2006)
Bioorg. Med. Chem.
, vol.14
, pp. 7953-7961
-
-
Tsao, D.H.1
Sutherland, A.G.2
Jennings, L.D.3
Li, Y.4
Rush III, T.S.5
Alvarez, J.C.6
Ding, W.7
Dushin, E.G.8
Dushin, R.G.9
Haney, S.A.10
Kenny, C.H.11
Malakian, A.K.12
Nilakantan, R.13
Mosyak, L.14
-
225
-
-
28544438025
-
Structure-based identification of the binding site for the hemiasterlin analogue HTI-286 on tubulin
-
Ravi, M.; Zask, A.; Rush, T. S., 3rd. Structure-based identification of the binding site for the hemiasterlin analogue HTI-286 on tubulin. Biochemistry, 2005, 44, 15871-15879.
-
(2005)
Biochemistry
, vol.44
, pp. 15871-15879
-
-
Ravi, M.1
Zask, A.2
Rush III, T.S.3
-
226
-
-
4444241485
-
The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors
-
Rush, T. S., 3rd; Powers, R. The application of x-ray, NMR, and molecular modeling in the design of MMP inhibitors. Curr. Top. Med. Chem., 2004, 4, 1311-1327.
-
(2004)
Curr. Top. Med. Chem.
, vol.4
, pp. 1311-1327
-
-
Rush III, T.S.1
Powers, R.2
-
227
-
-
33847404358
-
Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL
-
Bruncko, M.; Oost, T. K.; Belli, B. A.; Ding, H.; Joseph, M. K.; Kunzer, A.; Martineau, D.; McClellan, W. J.; Mitten, M.; Ng, S. C.; Nimmer, P. M.; Oltersdorf, T.; Park, C. M.; Petros, A. M.; Shoemaker, A. R.; Song, X.; Wang, X.; Wendt, M. D.; Zhang, H.; Fesik, S. W.; Rosenberg, S. H.; Elmore, S. W. Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL. J. Med. Chem., 2007, 50, 641-662.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 641-662
-
-
Bruncko, M.1
Oost, T.K.2
Belli, B.A.3
Ding, H.4
Joseph, M.K.5
Kunzer, A.6
Martineau, D.7
McClellan, W.J.8
Mitten, M.9
Ng, S.C.10
Nimmer, P.M.11
Oltersdorf, T.12
Park, C.M.13
Petros, A.M.14
Shoemaker, A.R.15
Song, X.16
Wang, X.17
Wendt, M.D.18
Zhang, H.19
Fesik, S.W.20
Rosenberg, S.H.21
Elmore, S.W.22
more..
-
228
-
-
13844312649
-
ZINC--a free database of commercially available compounds for virtual screening
-
Irwin, J. J.; Shoichet, B. K. ZINC--a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model., 2005, 45, 177-182.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
229
-
-
0033213957
-
The SHAPES strategy: An NMR-based approach for lead generation in drug discovery
-
Fejzo, J.; Lepre, C. A.; Peng, J. W.; Bemis, G. W.; Ajay; Murcko, M. A.; Moore, J. M. The SHAPES strategy: an NMR-based approach for lead generation in drug discovery. Chem. Biol., 1999, 6, 755-769.
-
(1999)
Chem. Biol.
, vol.6
, pp. 755-769
-
-
Fejzo, J.1
Lepre, C.A.2
Peng, J.W.3
Bemis, G.W.4
Ajay Murcko, M.A.5
Moore, J.M.6
-
230
-
-
11144352156
-
NMR-based techniques in the hit identification and optimisation processes
-
Pellecchia, M.; Becattini, B.; Crowell, K. J.; Fattorusso, R.; Forino, M.; Fragai, M.; Jung, D.; Mustelin, T.; Tautz, L. NMR-based techniques in the hit identification and optimisation processes. Exp. Opin. Ther. Targets, 2004, 8, 597-611.
-
(2004)
Exp. Opin. Ther. Targets
, vol.8
, pp. 597-611
-
-
Pellecchia, M.1
Becattini, B.2
Crowell, K.J.3
Fattorusso, R.4
Forino, M.5
Fragai, M.6
Jung, D.7
Mustelin, T.8
Tautz, L.9
-
231
-
-
11144301780
-
Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach
-
Fattorusso, R.; Jung, D.; Crowell, K. J.; Forino, M.; Pellecchia, M. Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach. J. Med. Chem., 2005, 48, 1649-1656.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 1649-1656
-
-
Fattorusso, R.1
Jung, D.2
Crowell, K.J.3
Forino, M.4
Pellecchia, M.5
-
232
-
-
56749182336
-
Fragment-based design of small molecule Xlinked inhibitor of apoptosis protein inhibitors
-
Huang, J. W.; Zhang, Z.; Wu, B.; Cellitti, J. F.; Zhang, X.; Dahl, R.; Shiau, C. W.; Welsh, K.; Emdadi, A.; Stebbins, J. L.; Reed, J. C.; Pellecchia, M. Fragment-based design of small molecule Xlinked inhibitor of apoptosis protein inhibitors. J. Med. Chem., 2008, 51, 7111-7118.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 7111-7118
-
-
Huang, J.W.1
Zhang, Z.2
Wu, B.3
Cellitti, J.F.4
Zhang, X.5
Dahl, R.6
Shiau, C.W.7
Welsh, K.8
Emdadi, A.9
Stebbins, J.L.10
Reed, J.C.11
Pellecchia, M.12
-
233
-
-
69249156893
-
Inhibition of a viral enzyme by a small-molecule dimer disruptor
-
Shahian, T.; Lee, G. M.; Lazic, A.; Arnold, L. A.; Velusamy, P.; Roels, C. M.; Guy, R. K.; Craik, C. S. Inhibition of a viral enzyme by a small-molecule dimer disruptor. Nat. Chem. Biol., 2009, 5, 640-646.
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 640-646
-
-
Shahian, T.1
Lee, G.M.2
Lazic, A.3
Arnold, L.A.4
Velusamy, P.5
Roels, C.M.6
Guy, R.K.7
Craik, C.S.8
-
234
-
-
34447297884
-
Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies
-
Huth, J. R.; Park, C.; Petros, A. M.; Kunzer, A. R.; Wendt, M. D.; Wang, X.; Lynch, C. L.; Mack, J. C.; Swift, K. M.; Judge, R. A.; Chen, J.; Richardson, P. L.; Jin, S.; Tahir, S. K.; Matayoshi, E. D.; Dorwin, S. A.; Ladror, U. S.; Severin, J. M.; Walter, K. A.; Bartley, D. M.; Fesik, S. W.; Elmore, S. W.; Hajduk, P. J. Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem. Biol. Drug Des., 2007, 70, 1-12.
-
(2007)
Chem. Biol. Drug Des.
, vol.70
, pp. 1-12
-
-
Huth, J.R.1
Park, C.2
Petros, A.M.3
Kunzer, A.R.4
Wendt, M.D.5
Wang, X.6
Lynch, C.L.7
Mack, J.C.8
Swift, K.M.9
Judge, R.A.10
Chen, J.11
Richardson, P.L.12
Jin, S.13
Tahir, S.K.14
Matayoshi, E.D.15
Dorwin, S.A.16
Ladror, U.S.17
Severin, J.M.18
Walter, K.A.19
Bartley, D.M.20
Fesik, S.W.21
Elmore, S.W.22
Hajduk, P.J.23
more..
-
235
-
-
67049133236
-
Fragment-based identification of Hsp90 inhibitors
-
Barker, J. J.; Barker, O.; Boggio, R.; Chauhan, V.; Cheng, R. K.; Corden, V.; Courtney, S. M.; Edwards, N.; Falque, V. M.; Fusar, F.; Gardiner, M.; Hamelin, E. M.; Hesterkamp, T.; Ichihara, O.; Jones, R. S.; Mather, O.; Mercurio, C.; Minucci, S.; Montalbetti, C. A.; Muller, A.; Patel, D.; Phillips, B. G.; Varasi, M.; Whittaker, M.; Winkler, D.; Yarnold, C. J. Fragment-based identification of Hsp90 inhibitors. Chem. Med. Chem., 2009, 4, 963-966.
-
(2009)
Chem. Med. Chem.
, vol.4
, pp. 963-966
-
-
Barker, J.J.1
Barker, O.2
Boggio, R.3
Chauhan, V.4
Cheng, R.K.5
Corden, V.6
Courtney, S.M.7
Edwards, N.8
Falque, V.M.9
Fusar, F.10
Gardiner, M.11
Hamelin, E.M.12
Hesterkamp, T.13
Ichihara, O.14
Jones, R.S.15
Mather, O.16
Mercurio, C.17
Minucci, S.18
Montalbetti, C.A.19
Muller, A.20
Patel, D.21
Phillips, B.G.22
Varasi, M.23
Whittaker, M.24
Winkler, D.25
Yarnold, C.J.26
more..
|