-
1
-
-
0346850033
-
Potent small-molecule binding to a dynamic hot spot on IL-2
-
Thanos, C. D., Randal, M. & Wells, J. A. Potent small-molecule binding to a dynamic hot spot on IL-2. J. Am. Chem. Soc. 125, 15280-15281 (2003).
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 15280-15281
-
-
Thanos, C.D.1
Randal, M.2
Wells, J.A.3
-
2
-
-
0033974667
-
Accommodating protein flexibility in computational drug design
-
Carlson, H. A. & McCammon, J. A. Accommodating protein flexibility in computational drug design. Mol. Pharmacol. 57, 213-218 (2000).
-
(2000)
Mol. Pharmacol.
, vol.57
, pp. 213-218
-
-
Carlson, H.A.1
McCammon, J.A.2
-
3
-
-
0018137537
-
Dynamic model of globular protein conformations based on NMR studies in solution
-
Wagner, G. & Wuthrich, K. Dynamic model of globular protein conformations based on NMR studies in solution. Nature 275, 247-248 (1978).
-
(1978)
Nature
, vol.275
, pp. 247-248
-
-
Wagner, G.1
Wuthrich, K.2
-
4
-
-
27744499156
-
Intrinsic dynamics of an enzyme underlies catalysis
-
Eisenmesser, E. Z. et al. Intrinsic dynamics of an enzyme underlies catalysis. Nature 438, 117-121 (2005).
-
(2005)
Nature
, vol.438
, pp. 117-121
-
-
Eisenmesser, E.Z.1
-
5
-
-
84882746143
-
Conformational motions regulate phosphoryl transfer in related protein tyrosine phosphatases
-
Whittier, S. K., Hengge, A. C. & Loria, J. P. Conformational motions regulate phosphoryl transfer in related protein tyrosine phosphatases. Science 341, 899-903 (2013).
-
(2013)
Science
, vol.341
, pp. 899-903
-
-
Whittier, S.K.1
Hengge, A.C.2
Loria, J.P.3
-
6
-
-
79953823548
-
A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis
-
Bhabha, G. et al. A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis. Science 332, 234-238 (2011).
-
(2011)
Science
, vol.332
, pp. 234-238
-
-
Bhabha, G.1
-
7
-
-
33748781457
-
The dynamic energy landscape of dihydrofolate reductase catalysis
-
Boehr, D. D., McElheny, D., Dyson, H. J. & Wright, P. E. The dynamic energy landscape of dihydrofolate reductase catalysis. Science 313, 1638-1642 (2006).
-
(2006)
Science
, vol.313
, pp. 1638-1642
-
-
Boehr, D.D.1
McElheny, D.2
Dyson, H.J.3
Wright, P.E.4
-
8
-
-
70450191983
-
Dynamic activation of an allosteric regulatory protein
-
Tzeng, S. R. & Kalodimos, C. G. Dynamic activation of an allosteric regulatory protein. Nature 462, 368-372 (2009).
-
(2009)
Nature
, vol.462
, pp. 368-372
-
-
Tzeng, S.R.1
Kalodimos, C.G.2
-
9
-
-
84925047368
-
Visualizing transient Watson-Crick-like mispairs in DNA and RNA duplexes
-
Kimsey, I. J., Petzold, K., Sathyamoorthy, B., Stein, Z. W. & Al-Hashimi, H. M. Visualizing transient Watson-Crick-like mispairs in DNA and RNA duplexes. Nature 519, 315-320 (2015).
-
(2015)
Nature
, vol.519
, pp. 315-320
-
-
Kimsey, I.J.1
Petzold, K.2
Sathyamoorthy, B.3
Stein, Z.W.4
Al-Hashimi, H.M.5
-
10
-
-
34447503697
-
Conformational entropy in molecular recognition by proteins
-
Frederick, K. K., Marlow, M. S., Valentine, K. G. & Wand, A. J. Conformational entropy in molecular recognition by proteins. Nature 448, 325-329 (2007).
-
(2007)
Nature
, vol.448
, pp. 325-329
-
-
Frederick, K.K.1
Marlow, M.S.2
Valentine, K.G.3
Wand, A.J.4
-
11
-
-
39449115488
-
Mechanism and inhibition of LpxC: An essential zincdependent deacetylase of bacterial lipid A synthesis
-
Barb, A. W. & Zhou, P. Mechanism and inhibition of LpxC: an essential zincdependent deacetylase of bacterial lipid A synthesis. Curr. Pharm. Biotechnol. 9, 9-15 (2008).
-
(2008)
Curr. Pharm. Biotechnol.
, vol.9
, pp. 9-15
-
-
Barb, A.W.1
Zhou, P.2
-
13
-
-
0042123525
-
Structure of the LpxC deacetylase with a bound substrateanalog inhibitor
-
Coggins, B. E. et al. Structure of the LpxC deacetylase with a bound substrateanalog inhibitor. Nat. Struct. Biol. 10, 645-651 (2003).
-
(2003)
Nat. Struct. Biol.
, vol.10
, pp. 645-651
-
-
Coggins, B.E.1
-
14
-
-
36749037830
-
Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding
-
Barb, A. W., Jiang, L., Raetz, C. R. & Zhou, P. Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding. Proc. Natl Acad. Sci. USA 104, 18433-18438 (2007).
-
(2007)
Proc. Natl Acad. Sci. USA
, vol.104
, pp. 18433-18438
-
-
Barb, A.W.1
Jiang, L.2
Raetz, C.R.3
Zhou, P.4
-
15
-
-
0038154073
-
Crystal structure of LpxC, a zinc-dependent deacetylase essential for endotoxin biosynthesis
-
Whittington, D. A., Rusche, K. M., Shin, H., Fierke, C. A. & Christianson, D. W. Crystal structure of LpxC, a zinc-dependent deacetylase essential for endotoxin biosynthesis. Proc. Natl Acad. Sci. USA 100, 8146-8150 (2003).
-
(2003)
Proc. Natl Acad. Sci. USA
, vol.100
, pp. 8146-8150
-
-
Whittington, D.A.1
Rusche, K.M.2
Shin, H.3
Fierke, C.A.4
Christianson, D.W.5
-
16
-
-
79251630959
-
Species-specific and inhibitor-dependent conformations of LpxC: Implications for antibiotic design
-
Lee, C. J. et al. Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem. Biol. 18, 38-47 (2011).
-
(2011)
Chem. Biol.
, vol.18
, pp. 38-47
-
-
Lee, C.J.1
-
17
-
-
78651477706
-
Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold
-
Liang, X. et al. Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold. Bioorg. Med. Chem. 19, 852-860 (2011).
-
(2011)
Bioorg. Med. Chem.
, vol.19
, pp. 852-860
-
-
Liang, X.1
-
18
-
-
0034663722
-
The penultimate rotamer library
-
Lovell, S. C., Word, J. M., Richardson, J. S. & Richardson, D. C. The penultimate rotamer library. Proteins 40, 389-408 (2000).
-
(2000)
Proteins
, vol.40
, pp. 389-408
-
-
Lovell, S.C.1
Word, J.M.2
Richardson, J.S.3
Richardson, D.C.4
-
19
-
-
0032967963
-
Side-chain conformations in an unfolded protein: Chi1 distributions in denatured hen lysozyme determined by heteronuclear 13C, 15N NMR spectroscopy
-
Hennig, M. et al. Side-chain conformations in an unfolded protein: chi1 distributions in denatured hen lysozyme determined by heteronuclear 13C, 15N NMR spectroscopy. J. Mol. Biol. 288, 705-723 (1999).
-
(1999)
J. Mol. Biol.
, vol.288
, pp. 705-723
-
-
Hennig, M.1
-
20
-
-
0034826474
-
Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1
-
Perez, C., Lohr, F., Ruterjans, H. & Schmidt, J. M. Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1. J. Am. Chem. Soc. 123, 7081-7093 (2001).
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 7081-7093
-
-
Perez, C.1
Lohr, F.2
Ruterjans, H.3
Schmidt, J.M.4
-
21
-
-
77953101437
-
Determination of isoleucine sidechain conformations in ground and excited states of proteins from chemical shifts
-
Hansen, D. F., Neudecker, P. & Kay, L. E. Determination of isoleucine sidechain conformations in ground and excited states of proteins from chemical shifts. J. Am. Chem. Soc. 132, 7589-7591 (2010).
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 7589-7591
-
-
Hansen, D.F.1
Neudecker, P.2
Kay, L.E.3
-
22
-
-
84889339111
-
-
(ed. Ojima, I.) Blackwell Publishing Ltd
-
Meng, H., Clark, G. A. & Kumar, K. in Fluorine in Medicinal Chemistry and Chemical Biology. (ed. Ojima, I.) 411-446 (Blackwell Publishing Ltd, 2009).
-
(2009)
Fluorine in Medicinal Chemistry and Chemical Biology
, pp. 411-446
-
-
Meng, H.1
Clark, G.A.2
Kumar, K.3
-
23
-
-
84897584974
-
Fluorine in pharmaceutical industry: Fluorine-containing drugs introduced to the market in the last decade (2001-2011)
-
Wang, J. et al. Fluorine in pharmaceutical industry: fluorine-containing drugs introduced to the market in the last decade (2001-2011). Chem. Rev. 114, 2432-2506 (2014).
-
(2014)
Chem. Rev.
, vol.114
, pp. 2432-2506
-
-
Wang, J.1
-
24
-
-
84864462749
-
Conformational selection or induced fit? A critical appraisal of the kinetic mechanism
-
Vogt, A. D. & Di Cera, E. Conformational selection or induced fit? A critical appraisal of the kinetic mechanism. Biochemistry 51, 5894-5902 (2012).
-
(2012)
Biochemistry
, vol.51
, pp. 5894-5902
-
-
Vogt, A.D.1
Di Cera, E.2
-
25
-
-
79851511830
-
Design and synthesis of potent Gram-negative specific LpxC inhibitors
-
Mansoor, U. F. et al. Design and synthesis of potent Gram-negative specific LpxC inhibitors. Bioorg. Med. Chem. Lett. 21, 1155-1161 (2011).
-
(2011)
Bioorg. Med. Chem. Lett.
, vol.21
, pp. 1155-1161
-
-
Mansoor, U.F.1
-
26
-
-
84865226401
-
A scalable synthesis of a hydroxamic acid LpxC inhibitor
-
Fei, Z. et al. A scalable synthesis of a hydroxamic acid LpxC inhibitor. Org. Process Res. Dev. 16, 1436-1441 (2012).
-
(2012)
Org. Process Res. Dev.
, vol.16
, pp. 1436-1441
-
-
Fei, Z.1
-
27
-
-
0031059866
-
Processing of X-ray diffraction data collected in oscillation mode
-
Otwinowski, Z. & Minor, W. Processing of X-ray diffraction data collected in oscillation mode. Methods Enzymol. 276, 307-326 (1997).
-
(1997)
Methods Enzymol.
, vol.276
, pp. 307-326
-
-
Otwinowski, Z.1
Minor, W.2
-
28
-
-
76449099287
-
XDS. Acta crystallogr
-
Kabsch, W. XDS. Acta Crystallogr. D Biol. Crystallogr. 66, 125-132 (2010).
-
(2010)
D Biol. Crystallogr.
, vol.66
, pp. 125-132
-
-
Kabsch, W.1
-
29
-
-
34447508216
-
Phaser crystallographic software
-
McCoy, A. J. et al. Phaser crystallographic software. J. Appl. Crystallogr. 40, 658-674 (2007).
-
(2007)
J. Appl. Crystallogr.
, vol.40
, pp. 658-674
-
-
McCoy, A.J.1
-
30
-
-
70349597601
-
Electronic Ligand Builder and Optimization Workbench (eLBOW): A tool for ligand coordinate and restraint generation
-
Moriarty, N. W., Grosse-Kunstleve, R. W. & Adams, P. D. electronic Ligand Builder and Optimization Workbench (eLBOW): a tool for ligand coordinate and restraint generation. Acta Crystallogr. D Biol. Crystallogr. 65, 1074-1080 (2009).
-
(2009)
Acta Crystallogr. D Biol. Crystallogr.
, vol.65
, pp. 1074-1080
-
-
Moriarty, N.W.1
Grosse-Kunstleve, R.W.2
Adams, P.D.3
-
32
-
-
76449098262
-
PHENIX: A comprehensive Python-based system for macromolecular structure solution
-
Adams, P. D. et al. PHENIX: a comprehensive Python-based system for macromolecular structure solution. Acta Crystallogr. D Biol. Crystallogr. 66, 213-221 (2010).
-
(2010)
Acta Crystallogr. D Biol. Crystallogr.
, vol.66
, pp. 213-221
-
-
Adams, P.D.1
-
33
-
-
43249097539
-
Iterative-build OMIT maps: Map improvement by iterative model building and refinement without model bias
-
Terwilliger, T. C. et al. Iterative-build OMIT maps: map improvement by iterative model building and refinement without model bias. Acta Crystallogr. D Biol. Crystallogr. 64, 515-524 (2008).
-
(2008)
Acta Crystallogr. D Biol. Crystallogr.
, vol.64
, pp. 515-524
-
-
Terwilliger, T.C.1
-
34
-
-
0027636003
-
A simple and sensitive experiment for measurement of JCC couplings between backbone carbonyl and methyl carbons in isotopically enriched proteins
-
Grzesiek, S., Vuister, G. W. & Bax, A. A simple and sensitive experiment for measurement of JCC couplings between backbone carbonyl and methyl carbons in isotopically enriched proteins. J. Biomol. NMR 3, 487-493 (1993).
-
(1993)
J. Biomol. NMR
, vol.3
, pp. 487-493
-
-
Grzesiek, S.1
Vuister, G.W.2
Bax, A.3
-
35
-
-
0001237847
-
Measurement of three-bond nitrogencarbon J couplings in proteins uniformly enriched in 15N and 13C
-
Vuister, G. W., Wang, A. C. & Bax, A. Measurement of three-bond nitrogencarbon J couplings in proteins uniformly enriched in 15N and 13C. J. Am. Chem. Soc. 115, 5334-5335 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5334-5335
-
-
Vuister, G.W.1
Wang, A.C.2
Bax, A.3
-
36
-
-
0029400480
-
NMRPipe: A multidimensional spectral processing system based on UNIX pipes
-
Delaglio, F. et al. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293 (1995).
-
(1995)
J. Biomol. NMR
, vol.6
, pp. 277-293
-
-
Delaglio, F.1
-
38
-
-
0035895351
-
Site-directed mutagenesis of the bacterial metalloamidase UDP-(3-O-acyl)-N-acetylglucosamine deacetylase (LpxC)
-
Jackman, J. E., Raetz, C. R. H. & Fierke, C. A. Site-directed mutagenesis of the bacterial metalloamidase UDP-(3-O-acyl)-N-acetylglucosamine deacetylase (LpxC). Identification of the zinc binding site. Biochemistry 40, 514-523 (2001).
-
(2001)
Identification of the Zinc Binding Site. Biochemistry
, vol.40
, pp. 514-523
-
-
Jackman, J.E.1
Raetz, C.R.H.2
Fierke, C.A.3
-
39
-
-
84880092262
-
In vitro kinetic profiling of hepatitis C virus NS3 protease inhibitors by progress curve analysis
-
Zhang, R. & Windsor, W. T. In vitro kinetic profiling of hepatitis C virus NS3 protease inhibitors by progress curve analysis. Methods Mol. Biol. 1030, 59-79 (2013).
-
(2013)
Methods Mol. Biol.
, vol.1030
, pp. 59-79
-
-
Zhang, R.1
Windsor, W.T.2
|