-
1
-
-
0019407381
-
On the attribution and additivity of binding energies
-
Jencks W.P. On the attribution and additivity of binding energies. Prod. Natl. Acad. Sci. USA 1981, 78:4046-4050.
-
(1981)
Prod. Natl. Acad. Sci. USA
, vol.78
, pp. 4046-4050
-
-
Jencks, W.P.1
-
2
-
-
0022423907
-
Mode of interaction of beta;-hydroxy- beta;-methylglutaryl coenzyme A reductase with strong binding inhibitors: compactin and related compounds
-
Nakamura C.E., Abeles R.H. Mode of interaction of β-hydroxy-β-methylglutaryl coenzyme A reductase with strong binding inhibitors: compactin and related compounds. Biochemistry 1985, 24:1364-1376.
-
(1985)
Biochemistry
, vol.24
, pp. 1364-1376
-
-
Nakamura, C.E.1
Abeles, R.H.2
-
3
-
-
0035324944
-
Molecular complexity and its impact on the probability of finding leads for drug discovery
-
Hann M.M., Leach A.R., Harper G. Molecular complexity and its impact on the probability of finding leads for drug discovery. J. Chem. Inf. Comput. Sci. 2001, 41:856-864.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
4
-
-
0037261295
-
Second-site NMR screening and linker design
-
Jahnke W., Flörsheimer A., Blommers M.J.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
Flörsheimer, A.2
Blommers, M.J.J.3
Paris, C.G.4
Heim, J.5
Nalin, C.M.6
Perez, L.B.7
-
5
-
-
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
-
8
-
-
4344592378
-
Fragment-based lead discovery
-
Rees D.C., Cosgreve M., Murray C.W., Carr R. Fragment-based lead discovery. Nat. Rev. Drug. Discov. 2004, 3:660-672.
-
(2004)
Nat. Rev. Drug. Discov.
, vol.3
, pp. 660-672
-
-
Rees, D.C.1
Cosgreve, M.2
Murray, C.W.3
Carr, R.4
-
11
-
-
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
-
12
-
-
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
-
13
-
-
0033773899
-
Discovering novel ligands for macromolecules using X-ray crystallographic screening
-
Nienaber V.L., Richardson P.L., Koighofer V., Bouska J.J., Giranda V.L., Greer J. Discovering novel ligands for macromolecules using X-ray crystallographic screening. Nat. Biotechnol. 2000, 18:1105-1108.
-
(2000)
Nat. Biotechnol.
, vol.18
, pp. 1105-1108
-
-
Nienaber, V.L.1
Richardson, P.L.2
Koighofer, V.3
Bouska, J.J.4
Giranda, V.L.5
Greer, J.6
-
14
-
-
84864878309
-
-
Wiley-VCH Verlag GmbH & Co. KgaA, Weinheim, W. Jahnke, D.A. Erlanson (Eds.)
-
Blaney J., Nienaber V., Burley S.K. Fragment-Based Approaches in Drug Discovery 2006, 215-248. Wiley-VCH Verlag GmbH & Co. KgaA, Weinheim. W. Jahnke, D.A. Erlanson (Eds.).
-
(2006)
Fragment-Based Approaches in Drug Discovery
, pp. 215-248
-
-
Blaney, J.1
Nienaber, V.2
Burley, S.K.3
-
15
-
-
33847364834
-
-
Wiley-VCH Verlag GmbH & Co. KgaA, Weinheim, W. Jahnke, D.A. Erlanson (Eds.)
-
Sen D.S. Fragment-Based Approaches in Drug Discovery 2006, 149-180. Wiley-VCH Verlag GmbH & Co. KgaA, Weinheim. W. Jahnke, D.A. Erlanson (Eds.).
-
(2006)
Fragment-Based Approaches in Drug Discovery
, pp. 149-180
-
-
Sen, D.S.1
-
16
-
-
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
-
17
-
-
19944405127
-
Components of successful lead generation
-
Davis A.M., Keeling D.J., Steele J., Tomkinson N.P., Tinker A.C. Components of successful lead generation. Curr. Top. Med. Chem. 2005, 5:421-439.
-
(2005)
Curr. Top. Med. Chem.
, vol.5
, pp. 421-439
-
-
Davis, A.M.1
Keeling, D.J.2
Steele, J.3
Tomkinson, N.P.4
Tinker, A.C.5
-
18
-
-
0001871136
-
Hit-to-lead chemistry: a key element in new lead generation
-
Michne W. Hit-to-lead chemistry: a key element in new lead generation. Pharmaceutical News 1996, 3:19-21.
-
(1996)
Pharmaceutical News
, vol.3
, pp. 19-21
-
-
Michne, W.1
-
19
-
-
0041418274
-
Recent advances in de novo design strategy for practical lead identification
-
Honma T. Recent advances in de novo design strategy for practical lead identification. Med. Res. Rev. 2003, 23:606-632.
-
(2003)
Med. Res. Rev.
, vol.23
, pp. 606-632
-
-
Honma, T.1
-
20
-
-
0842274205
-
Rediscovering the sweet spot in drug discovery
-
Brown D., Superti-Furga G. Rediscovering the sweet spot in drug discovery. Drug Discov. Today 2003, 8:1067-1077.
-
(2003)
Drug Discov. Today
, vol.8
, pp. 1067-1077
-
-
Brown, D.1
Superti-Furga, G.2
-
21
-
-
0034255751
-
Isn't combinatorial chemistry just chemistry?
-
Hird N. Isn't combinatorial chemistry just chemistry?. Drug Discov. Today 2000, 5:307-308.
-
(2000)
Drug Discov. Today
, vol.5
, pp. 307-308
-
-
Hird, N.1
-
23
-
-
16944365890
-
Discovery of potent nonpeptide inhibitors of stromelysin using SAR by NMR
-
Hajduk P.J., Sheppard G., Nettesheim D.G., Olejniczak E.T., Shuker S.B., Meadows R.P., Steinman D.H., Carrera G.M., Marcotte P.A., Severin J., Walter K., Smith H., Gubbins E., Simmer R., Holzman T.F., Morgan D.W., Davidsen S.K., Summers J.B., Fesik S.W. Discovery of potent nonpeptide inhibitors of stromelysin using SAR by NMR. J. Am. Chem. Soc. 1997, 119:5818-5827.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5818-5827
-
-
Hajduk, P.J.1
Sheppard, G.2
Nettesheim, D.G.3
Olejniczak, E.T.4
Shuker, S.B.5
Meadows, R.P.6
Steinman, D.H.7
Carrera, G.M.8
Marcotte, P.A.9
Severin, J.10
Walter, K.11
Smith, H.12
Gubbins, E.13
Simmer, R.14
Holzman, T.F.15
Morgan, D.W.16
Davidsen, S.K.17
Summers, J.B.18
Fesik, S.W.19
-
24
-
-
7444257903
-
Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa
-
Dickopf S., Frank M., Junker H.-D., Maier S., Metz G., Ottleben G., Rau H., Schellhaas N., Schmidt K., Sekul R., Vanier C., Vetter D., Czech J., Lorenz M., Matter H., Schudok M., Schreuder H., Will D.W., Nestler H.P. Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa. Anal. Biochem. 2004, 335:50-57.
-
(2004)
Anal. Biochem.
, vol.335
, pp. 50-57
-
-
Dickopf, S.1
Frank, M.2
Junker, H.-D.3
Maier, S.4
Metz, G.5
Ottleben, G.6
Rau, H.7
Schellhaas, N.8
Schmidt, K.9
Sekul, R.10
Vanier, C.11
Vetter, D.12
Czech, J.13
Lorenz, M.14
Matter, H.15
Schudok, M.16
Schreuder, H.17
Will, D.W.18
Nestler, H.P.19
-
25
-
-
20444451242
-
The discovery of novel protein kinase inhibitors by using fragment-based high-throughput X-ray crystallography
-
Gill A., Cleasby A., Jhoti H. The discovery of novel protein kinase inhibitors by using fragment-based high-throughput X-ray crystallography. Chem Bio Chem 2005, 6:506-512.
-
(2005)
Chem Bio Chem
, vol.6
, pp. 506-512
-
-
Gill, A.1
Cleasby, A.2
Jhoti, H.3
-
26
-
-
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
-
27
-
-
26844521517
-
In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors
-
Oblak M., Grdadolnik S.G., Kotnik M., Jerala R., Filipic M., Solmajer T. In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors. Bioorg. Med. Chem. Lett. 2005, 15:5207-5210.
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.15
, pp. 5207-5210
-
-
Oblak, M.1
Grdadolnik, S.G.2
Kotnik, M.3
Jerala, R.4
Filipic, M.5
Solmajer, T.6
-
28
-
-
0034212454
-
Applications of NMR in drug discovery
-
Roberts G.C.K. Applications of NMR in drug discovery. Drug Discov. Today 2000, 5:230-240.
-
(2000)
Drug Discov. Today
, vol.5
, pp. 230-240
-
-
Roberts, G.C.K.1
-
29
-
-
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
-
30
-
-
0035584032
-
Using receptor conformational change to detect low molecular weight analytes by surface plasmon resonance
-
Gestwicki J.E., Hsieh H.V., Pitner J.B. Using receptor conformational change to detect low molecular weight analytes by surface plasmon resonance. Anal. Chem. 2001, 73:5732-5737.
-
(2001)
Anal. Chem.
, vol.73
, pp. 5732-5737
-
-
Gestwicki, J.E.1
Hsieh, H.V.2
Pitner, J.B.3
-
31
-
-
0035253553
-
MS/NMR: a structure-based approach for discovering protein ligands and for drug design by coupling size exclusion chromatography, mass spectrometry, and nuclear magnetic resonance spectroscopy
-
Moy F.J., Haraki K., Mobilio D., Walker G., Powers R., Tabei K., Tong H., Siegel M.M. MS/NMR: a structure-based approach for discovering protein ligands and for drug design by coupling size exclusion chromatography, mass spectrometry, and nuclear magnetic resonance spectroscopy. Anal. Chem. 2001, 73:571-581.
-
(2001)
Anal. Chem.
, vol.73
, pp. 571-581
-
-
Moy, F.J.1
Haraki, K.2
Mobilio, D.3
Walker, G.4
Powers, R.5
Tabei, K.6
Tong, H.7
Siegel, M.M.8
-
32
-
-
0037194620
-
SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets
-
Swayze E.E., Jefferson E.A., Sannes-Lowery K.A., Blyn L.B., Risen L.M., Arakawa S., Osgood S.S., Hofstadler S.A., Griffey R.H. SAR by MS: a ligand based technique for drug lead discovery against structured RNA targets. J. Med. Chem. 2002, 45:3816-3819.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 3816-3819
-
-
Swayze, E.E.1
Jefferson, E.A.2
Sannes-Lowery, K.A.3
Blyn, L.B.4
Risen, L.M.5
Arakawa, S.6
Osgood, S.S.7
Hofstadler, S.A.8
Griffey, R.H.9
-
33
-
-
22044441118
-
Fragment-based lead discovery: leads by design
-
Carr R., Congreve M., Murray C., Rees D. Fragment-based lead discovery: leads by design. Drug Discov. Today 2005, 10:987-992.
-
(2005)
Drug Discov. Today
, vol.10
, pp. 987-992
-
-
Carr, R.1
Congreve, M.2
Murray, C.3
Rees, D.4
-
34
-
-
1642288258
-
Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization, a promising alternative to random screening
-
Boehm H.-J., Boehringer M., Bur D., Gmuender H., Huber W., Klaus W., Kostrewa D., Kuehne H., Luebbers T., Meunier-Keller N., Mueller F. Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization, a promising alternative to random screening. J. Med. Chem. 2000, 43:2663-2674.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2663-2674
-
-
Boehm, H.-J.1
Boehringer, M.2
Bur, D.3
Gmuender, H.4
Huber, W.5
Klaus, W.6
Kostrewa, D.7
Kuehne, H.8
Luebbers, T.9
Meunier-Keller, N.10
Mueller, F.11
-
35
-
-
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
-
36
-
-
33846155913
-
Structure-based maximal affinity model predicts small-molecule druggability
-
Cheng A.C., Coleman R.G., Smyth K.T., Cao Q., Soulard P., Caffrey D.R., Salzberg A.C., Huang E.S. Structure-based maximal affinity model predicts small-molecule druggability. Nat. Biotechnol. 2007, 25:71-75.
-
(2007)
Nat. Biotechnol.
, vol.25
, pp. 71-75
-
-
Cheng, A.C.1
Coleman, R.G.2
Smyth, K.T.3
Cao, Q.4
Soulard, P.5
Caffrey, D.R.6
Salzberg, A.C.7
Huang, E.S.8
-
37
-
-
0035154850
-
The potential pharmacological and toxicological impact of P450 screening
-
Riley R. The potential pharmacological and toxicological impact of P450 screening. Curr. Opin. Drug Discov. Dev. 2001, 4:45-54.
-
(2001)
Curr. Opin. Drug Discov. Dev.
, vol.4
, pp. 45-54
-
-
Riley, R.1
-
38
-
-
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
-
39
-
-
33845736461
-
Drugs in other drugs: a new look at drugs as fragments
-
Siegel M.G., Vieth M. Drugs in other drugs: a new look at drugs as fragments. Drug Discov. Today 2007, 12:71-79.
-
(2007)
Drug Discov. Today
, vol.12
, pp. 71-79
-
-
Siegel, M.G.1
Vieth, M.2
-
40
-
-
33244470695
-
Grand canonical Monte Carlo simulation of ligand-protein binding
-
Clark M., Guarnieri F., Shkurko I., Wiseman J. Grand canonical Monte Carlo simulation of ligand-protein binding. J. Chem. Inf. Mod. 2006, 46:231-242.
-
(2006)
J. Chem. Inf. Mod.
, vol.46
, pp. 231-242
-
-
Clark, M.1
Guarnieri, F.2
Shkurko, I.3
Wiseman, J.4
-
41
-
-
17844391276
-
Maximizing discovery efficiency with a computationally driven fragment approach
-
Moore W.R. Maximizing discovery efficiency with a computationally driven fragment approach. Curr. Opin. Drug Discov. Dev. 2005, 8:355-364.
-
(2005)
Curr. Opin. Drug Discov. Dev.
, vol.8
, pp. 355-364
-
-
Moore, W.R.1
-
42
-
-
84915716471
-
Elucidation of cross relaxation in liquids by two-dimensional NMR spectroscopy
-
Macura S., Ernst R.R. Elucidation of cross relaxation in liquids by two-dimensional NMR spectroscopy. Mol. Phys. 1980, 41:95-117.
-
(1980)
Mol. Phys.
, vol.41
, pp. 95-117
-
-
Macura, S.1
Ernst, R.R.2
-
43
-
-
0028541223
-
A test of the model free formulas: effects of anisotropic rotational diffusion and dimerization
-
Schurr J.M., Babcock H.P., Fujimoto B.S. A test of the model free formulas: effects of anisotropic rotational diffusion and dimerization. J. Magn. Reson. Ser. B 1994, 105:211-224.
-
(1994)
J. Magn. Reson. Ser. B
, vol.105
, pp. 211-224
-
-
Schurr, J.M.1
Babcock, H.P.2
Fujimoto, B.S.3
-
44
-
-
0003605587
-
Physical biochemistry
-
Prentice-Hall, Inc., Englewood Cliffs, New Jersey
-
Van Holde K.E. Physical biochemistry. Foundations of Modern Biochemistry Series 1971, Prentice-Hall, Inc., Englewood Cliffs, New Jersey.
-
(1971)
Foundations of Modern Biochemistry Series
-
-
Van Holde, K.E.1
-
45
-
-
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
-
46
-
-
0000386638
-
Proton magnetic relaxation and spin diffusion in proteins
-
Kalk A., Berendsen H.J.C. Proton magnetic relaxation and spin diffusion in proteins. J. Magn. Reson. 1976, 24:343-366.
-
(1976)
J. Magn. Reson.
, vol.24
, pp. 343-366
-
-
Kalk, A.1
Berendsen, H.J.C.2
-
48
-
-
0348041598
-
Exploring the active site of human factor Xa protein by NMR screening of small molecule probes
-
Fielding L., Fletcher D., Rutherford S., Kaur J., Mestres J. Exploring the active site of human factor Xa protein by NMR screening of small molecule probes. Org. Biomol. Chem. 2003, 1:4235-4241.
-
(2003)
Org. Biomol. Chem.
, vol.1
, pp. 4235-4241
-
-
Fielding, L.1
Fletcher, D.2
Rutherford, S.3
Kaur, J.4
Mestres, J.5
-
49
-
-
0032561224
-
Design of benzamidine-type inhibitors of factor Xa
-
Gabriel B., Stubbs M.T., Bergner A., Hauptmann J., Bode W., Stürzebecher J., Moroder L. Design of benzamidine-type inhibitors of factor Xa. J. Med. Chem. 1998, 41:4240-4250.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4240-4250
-
-
Gabriel, B.1
Stubbs, M.T.2
Bergner, A.3
Hauptmann, J.4
Bode, W.5
Stürzebecher, J.6
Moroder, L.7
-
50
-
-
0031564611
-
13C chemical shifts
-
13C chemical shifts. J. Mol. Biol. 1997, 267:933-952.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 933-952
-
-
Wittekind, M.1
Mapelli, C.2
Lee, V.3
Goldfarb, V.4
Friedrichs, M.S.5
Meyers, C.A.6
Mueller, L.7
-
51
-
-
33845809186
-
Protein crystallography and drug discovery
-
Elsevier Academic Press, New York, C.A. Wermuth (Ed.)
-
Rondeau J.-M., Schreuder H. Protein crystallography and drug discovery. The Practice of Medicinal Chemistry 2003, 417-444. Elsevier Academic Press, New York. 2nd Edition. C.A. Wermuth (Ed.).
-
(2003)
The Practice of Medicinal Chemistry
, pp. 417-444
-
-
Rondeau, J.-M.1
Schreuder, H.2
-
52
-
-
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
-
53
-
-
19944434344
-
Identification of p38a kinase inhibitors using fragment-based lead generation
-
Gill A.L., Frederickson M., Cleasby A., Woodhead S.J., Carr M.G., Woodhead A.J., Walker M.T., Congreve M.S., Devine L.A., Tisi D., O'Reilly M., Seavers L.C.A., Davis D.J., Curry J., Anthony R., Padova A., Murray C.W., Carr R.A.E., Jhoti H. Identification of p38a kinase inhibitors using fragment-based lead generation. J. Med. Chem. 2005, 48:414-426.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 414-426
-
-
Gill, A.L.1
Frederickson, M.2
Cleasby, A.3
Woodhead, S.J.4
Carr, M.G.5
Woodhead, A.J.6
Walker, M.T.7
Congreve, M.S.8
Devine, L.A.9
Tisi, D.10
O'Reilly, M.11
Seavers, L.C.A.12
Davis, D.J.13
Curry, J.14
Anthony, R.15
Padova, A.16
Murray, C.W.17
Carr, R.A.E.18
Jhoti, H.19
-
54
-
-
20844437061
-
A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
-
Card G.L., Blasdel L., England B.P., Zhang C., Suzuki Y., Gillette S., Fong D., Ibrahim P.N., Artis D.R., Bollag G., Milburn M.V., Kim S.-H., Schlessinger J., Zhang K.Y.L. A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design. Nat. Biotechnol. 2005, 23:201-207.
-
(2005)
Nat. Biotechnol.
, vol.23
, pp. 201-207
-
-
Card, G.L.1
Blasdel, L.2
England, B.P.3
Zhang, C.4
Suzuki, Y.5
Gillette, S.6
Fong, D.7
Ibrahim, P.N.8
Artis, D.R.9
Bollag, G.10
Milburn, M.V.11
Kim, S.-H.12
Schlessinger, J.13
Zhang, K.Y.L.14
-
55
-
-
33749262286
-
Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase
-
Bosch J., Robien M.A., Mehlin C., Boni E., Riechers A., Buckner F.S., Van Voorhis W.C., Myler P.J., Worthey E.A., DeTitta G., Luft J.R., Lauricella A., Gulde S., Anderson L.A., Kalyuzhniy O., Neely H.M., Ross J., Earnest T.N., Soltis M., Schoenfeld L., Zucker F., Merritt E.A., Fan E., Verlinde C.L.M.J., Hol W.G.J. Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase. J. Med. Chem. 2006, 49:5939-5946.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 5939-5946
-
-
Bosch, J.1
Robien, M.A.2
Mehlin, C.3
Boni, E.4
Riechers, A.5
Buckner, F.S.6
Van Voorhis, W.C.7
Myler, P.J.8
Worthey, E.A.9
DeTitta, G.10
Luft, J.R.11
Lauricella, A.12
Gulde, S.13
Anderson, L.A.14
Kalyuzhniy, O.15
Neely, H.M.16
Ross, J.17
Earnest, T.N.18
Soltis, M.19
Schoenfeld, L.20
Zucker, F.21
Merritt, E.A.22
Fan, E.23
Verlinde, C.L.M.J.24
Hol, W.G.J.25
more..
-
56
-
-
27644555726
-
Substrate activity screening: a fragment-based method for the rapid identification of nonpeptidic protease inhibitors
-
Wood W.J.L., Patterson A.W., Tsuruoka H., Jain R.K., Ellman J.A. Substrate activity screening: a fragment-based method for the rapid identification of nonpeptidic protease inhibitors. J. Am. Chem. Soc. 2005, 127:15521-15527.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 15521-15527
-
-
Wood, W.J.L.1
Patterson, A.W.2
Tsuruoka, H.3
Jain, R.K.4
Ellman, J.A.5
-
57
-
-
33745922373
-
Rapid identification of potent nonpeptidic serine protease inhibitors
-
Salisbury C.M., Ellman J.A. Rapid identification of potent nonpeptidic serine protease inhibitors. ChemBioChem 2006, 7:1034-1037.
-
(2006)
ChemBioChem
, vol.7
, pp. 1034-1037
-
-
Salisbury, C.M.1
Ellman, J.A.2
-
58
-
-
33750125526
-
Identification of selective, nonpeptidic nitrile inhibitors of cathepsin S using the substrate activity screening method
-
Patterson A.W., Wood W.J.L., Hornsby M., Lesley S., Spraggon G., Ellman J.A. Identification of selective, nonpeptidic nitrile inhibitors of cathepsin S using the substrate activity screening method. J. Med. Chem. 2006, 49:6298-6307.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6298-6307
-
-
Patterson, A.W.1
Wood, W.J.L.2
Hornsby, M.3
Lesley, S.4
Spraggon, G.5
Ellman, J.A.6
-
60
-
-
33746210083
-
Inhibitors of HIV-1 protease by using in situ click chemistry
-
Whiting M., Muldoon J., Lin Y.-C., Silverman S.M., Lindstrom W., Olson A.J., Kolb H.C., Finn M.G., Sharpless K.B., Elder J.H., Fokin V.V. Inhibitors of HIV-1 protease by using in situ click chemistry. Angew. Chem. Int. Ed. 2006, 45:1435-1439.
-
(2006)
Angew. Chem. Int. Ed.
, vol.45
, pp. 1435-1439
-
-
Whiting, M.1
Muldoon, J.2
Lin, Y.-C.3
Silverman, S.M.4
Lindstrom, W.5
Olson, A.J.6
Kolb, H.C.7
Finn, M.G.8
Sharpless, K.B.9
Elder, J.H.10
Fokin, V.V.11
-
61
-
-
5644276317
-
In situ click chemistry: enzyme inhibitors made to their own specifications
-
Manetsch R., Krasinski A., Radic Z., Raushel J., Taylor P., Sharpless K.B., Kolb H.C. In situ click chemistry: enzyme inhibitors made to their own specifications. J. Am. Chem. Soc. 2004, 126:12809-12818.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 12809-12818
-
-
Manetsch, R.1
Krasinski, A.2
Radic, Z.3
Raushel, J.4
Taylor, P.5
Sharpless, K.B.6
Kolb, H.C.7
-
62
-
-
0037087516
-
Click chemistry in situ: acetylcholinesterase as a reaction vessel for the selective assembly of a femtomolar inhibitor from an array of building blocks
-
Lewis W.G., Green L.G., Grynszpan F., Radic Z., Carlier P.R., Taylor P., Finn M.G., Sharpless K.B. Click chemistry in situ: acetylcholinesterase as a reaction vessel for the selective assembly of a femtomolar inhibitor from an array of building blocks. Angew. Chem. Int. Ed. 2002, 41:1053-1057.
-
(2002)
Angew. Chem. Int. Ed.
, vol.41
, pp. 1053-1057
-
-
Lewis, W.G.1
Green, L.G.2
Grynszpan, F.3
Radic, Z.4
Carlier, P.R.5
Taylor, P.6
Finn, M.G.7
Sharpless, K.B.8
-
63
-
-
11244252206
-
In situ click chemistry: enzyme-generated inhibitors of carbonic anhydrase II
-
Mocharla V.P., Colasson B., Lee L.V., Roper S., Sharpless K.B., Wong C.-H., Kolb H.C. In situ click chemistry: enzyme-generated inhibitors of carbonic anhydrase II. Angew. Chem. Int. Ed. 2005, 44:116-120.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 116-120
-
-
Mocharla, V.P.1
Colasson, B.2
Lee, L.V.3
Roper, S.4
Sharpless, K.B.5
Wong, C.-H.6
Kolb, H.C.7
-
64
-
-
29044442133
-
Discovery of thrombin inhibitor fragments from chemical microarray screening
-
Neumann T., Junker H.-D., Keil O., Burkert K., Ottleben H., Gamer J., Sekul R., Deppe H., Feurer A., Tomandl D., Metz G. Discovery of thrombin inhibitor fragments from chemical microarray screening. Lett. Drug Design Discov. 2005, 2:590-594.
-
(2005)
Lett. Drug Design Discov.
, vol.2
, pp. 590-594
-
-
Neumann, T.1
Junker, H.-D.2
Keil, O.3
Burkert, K.4
Ottleben, H.5
Gamer, J.6
Sekul, R.7
Deppe, H.8
Feurer, A.9
Tomandl, D.10
Metz, G.11
-
65
-
-
33746885488
-
Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods
-
Ciulli A., Williams G., Smith A.G., Blundell T.L., Abell C. Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods. J. Med. Chem. 2006, 49:4992-5000.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 4992-5000
-
-
Ciulli, A.1
Williams, G.2
Smith, A.G.3
Blundell, T.L.4
Abell, C.5
-
66
-
-
33745652264
-
Applications of ESI-MS in drug discovery: interrogation of noncovalent complexes
-
Hofstadler S.A., Sannes-Lowery K.A. Applications of ESI-MS in drug discovery: interrogation of noncovalent complexes. Nat. Rev. Drug Discov. 2006, 5:585-595.
-
(2006)
Nat. Rev. Drug Discov.
, vol.5
, pp. 585-595
-
-
Hofstadler, S.A.1
Sannes-Lowery, K.A.2
|