-
1
-
-
84862659868
-
History of protein-protein interactions: from egg-white to complex networks
-
Braun P, Gingras AC, (2012) History of protein-protein interactions: from egg-white to complex networks. Proteomics 12: 1478-1498.
-
(2012)
Proteomics
, vol.12
, pp. 1478-1498
-
-
Braun, P.1
Gingras, A.C.2
-
2
-
-
84856389159
-
Structural biology and drug discovery of difficult targets: the limits of ligandability
-
Surade S, Blundell TL, (2012) Structural biology and drug discovery of difficult targets: the limits of ligandability. Chem Biol 19: 42-50.
-
(2012)
Chem Biol
, vol.19
, pp. 42-50
-
-
Surade, S.1
Blundell, T.L.2
-
3
-
-
84873433440
-
Using a fragment-based approach to target protein-protein interactions
-
Scott DE, Ehebauer MT, Pukala T, Marsh M, Blundell TL, et al. (2013) Using a fragment-based approach to target protein-protein interactions. Chembiochem 14: 332-342.
-
(2013)
Chembiochem
, vol.14
, pp. 332-342
-
-
Scott, D.E.1
Ehebauer, M.T.2
Pukala, T.3
Marsh, M.4
Blundell, T.L.5
-
4
-
-
79960990847
-
Chemical and structural lessons from recent successes in protein-protein interaction inhibition (2p2i)
-
Morelli X, Bourgeas R, Roche P, (2011) Chemical and structural lessons from recent successes in protein-protein interaction inhibition (2p2i). Curr Opin Chem Biol 15: 475-481.
-
(2011)
Curr Opin Chem Biol
, vol.15
, pp. 475-481
-
-
Morelli, X.1
Bourgeas, R.2
Roche, P.3
-
5
-
-
77649233664
-
Rationalizing the chemical space of protein-protein interaction inhibitors
-
Sperandio O, Reyns CH, Camproux AC, Villoutreix BO, (2010) Rationalizing the chemical space of protein-protein interaction inhibitors. Drug Discov Today 15: 220-229.
-
(2010)
Drug Discov Today
, vol.15
, pp. 220-229
-
-
Sperandio, O.1
Reyns, C.H.2
Camproux, A.C.3
Villoutreix, B.O.4
-
6
-
-
0037452709
-
Binding of small molecules to an adaptive protein-protein interface
-
Arkin MR, Randal M, DeLano WL, Hyde J, Luong TN, et al. (2003) Binding of small molecules to an adaptive protein-protein interface. Proc Natl Acad Sci U S A 100: 1603-1608.
-
(2003)
Proc Natl Acad Sci U S A
, vol.100
, pp. 1603-1608
-
-
Arkin, M.R.1
Randal, M.2
DeLano, W.L.3
Hyde, J.4
Luong, T.N.5
-
7
-
-
84866362396
-
Using fragment-based technologies to target protein-protein interac-tions
-
Bower JF, Pannifer A, (2012) Using fragment-based technologies to target protein-protein interac-tions. Curr Pharm Des 18: 4685-4696.
-
(2012)
Curr Pharm Des
, vol.18
, pp. 4685-4696
-
-
Bower, J.F.1
Pannifer, A.2
-
8
-
-
84868026890
-
Dissecting fragment-based lead discovery at the von hippel-lindau protein:hypoxia inducible factor 1alpha protein-protein interface
-
Molle IV, Thomann A, Buckley DL, So EC, Lang S, et al. (2012) Dissecting fragment-based lead discovery at the von hippel-lindau protein:hypoxia inducible factor 1alpha protein-protein interface. Chem Biol 19: 1300-1312.
-
(2012)
Chem Biol
, vol.19
, pp. 1300-1312
-
-
Molle, I.V.1
Thomann, A.2
Buckley, D.L.3
So, E.C.4
Lang, S.5
-
10
-
-
0029836953
-
Discovering high-affinity ligands for proteins: Sar by nmr
-
Shuker SB, Hajduk PJ, Meadows RP, Fesik SW, (1996) Discovering high-affinity ligands for proteins: Sar by nmr. Science 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
-
11
-
-
1942453243
-
Ligand efficiency: a useful metric for lead selection
-
Hopkins AL, Groom CR, Alex A, (2004) Ligand efficiency: a useful metric for lead selection. Drug Discov Today 9: 430-431.
-
(2004)
Drug Discov Today
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, C.R.2
Alex, A.3
-
13
-
-
22044441118
-
Fragment-based lead discovery: leads by design
-
Carr RAE, Congreve M, Murray CW, Rees DC, (2005) Fragment-based lead discovery: leads by design. Drug Discov Today 10: 987-992.
-
(2005)
Drug Discov Today
, vol.10
, pp. 987-992
-
-
Carr, R.A.E.1
Congreve, M.2
Murray, C.W.3
Rees, D.C.4
-
14
-
-
77958048793
-
Discovery of a potent and selective bcl-2 inhibitor using sar by nmr
-
Petros AM, Huth JR, Oost T, Park CM, Ding H, et al. (2010) Discovery of a potent and selective bcl-2 inhibitor using sar by nmr. Bioorg Med Chem Lett 20: 6587-6591.
-
(2010)
Bioorg Med Chem Lett
, vol.20
, pp. 6587-6591
-
-
Petros, A.M.1
Huth, J.R.2
Oost, T.3
Park, C.M.4
Ding, H.5
-
15
-
-
31544467109
-
Discovery of a potent inhibitor of the antiapoptotic protein bcl-xl from nmr and parallel synthesis
-
Petros AM, Dinges J, Augeri DJ, Baumeister SA, Betebenner DA, et al. (2006) Discovery of a potent inhibitor of the antiapoptotic protein bcl-xl from nmr and parallel synthesis. J Med Chem 49: 656-663.
-
(2006)
J Med Chem
, vol.49
, pp. 656-663
-
-
Petros, A.M.1
Dinges, J.2
Augeri, D.J.3
Baumeister, S.A.4
Betebenner, D.A.5
-
16
-
-
34548047900
-
Crystal structure of abt-737 complexed with bcl-xl: implications for selectivity of antagonists of the bcl-2 family
-
Lee EF, Czabotar PE, Smith BJ, Deshayes K, Zobel K, et al. (2007) Crystal structure of abt-737 complexed with bcl-xl: implications for selectivity of antagonists of the bcl-2 family. Cell Death Differ 14: 1711-1713.
-
(2007)
Cell Death Differ
, vol.14
, pp. 1711-1713
-
-
Lee, E.F.1
Czabotar, P.E.2
Smith, B.J.3
Deshayes, K.4
Zobel, K.5
-
17
-
-
84872301920
-
Discovery of potent myeloid cell leukemia 1 (mcl-1) inhibitors using fragment-based methods and structure-based design
-
Friberg A, Vigil D, Zhao B, Daniels RN, Burke JP, et al. (2013) Discovery of potent myeloid cell leukemia 1 (mcl-1) inhibitors using fragment-based methods and structure-based design. J Med Chem 56: 15-30.
-
(2013)
J Med Chem
, vol.56
, pp. 15-30
-
-
Friberg, A.1
Vigil, D.2
Zhao, B.3
Daniels, R.N.4
Burke, J.P.5
-
18
-
-
80052384557
-
Sar by interligand nuclear overhauser effects (iloes) based discovery of acylsulfonamide compounds active against bcl-x(l) and mcl-1
-
Rega MF, Wu B, Wei J, Zhang Z, Cellitti JF, et al. (2011) Sar by interligand nuclear overhauser effects (iloes) based discovery of acylsulfonamide compounds active against bcl-x(l) and mcl-1. J Med Chem 54: 6000-6013.
-
(2011)
J Med Chem
, vol.54
, pp. 6000-6013
-
-
Rega, M.F.1
Wu, B.2
Wei, J.3
Zhang, Z.4
Cellitti, J.F.5
-
19
-
-
0037414274
-
Discovery of a potent small molecule il-2 inhibitor through fragment assembly
-
Braisted AC, Oslob JD, Delano WL, Hyde J, McDowell RS, et al. (2003) Discovery of a potent small molecule il-2 inhibitor through fragment assembly. J Am Chem Soc 125: 3714-3715.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 3714-3715
-
-
Braisted, A.C.1
Oslob, J.D.2
Delano, W.L.3
Hyde, J.4
McDowell, R.S.5
-
20
-
-
33750067690
-
Discovery of novel inhibitors of the zipa/ftsz complex by nmr fragment screening coupled with structure-based design
-
Tsao DHH, Sutherland AG, Jennings LD, Li Y, Rush TS, et al. (2006) Discovery of novel inhibitors of the zipa/ftsz complex by nmr fragment screening coupled with structure-based design. Bioorg Med Chem 14: 7953-7961.
-
(2006)
Bioorg Med Chem
, vol.14
, pp. 7953-7961
-
-
Tsao, D.H.H.1
Sutherland, A.G.2
Jennings, L.D.3
Li, Y.4
Rush, T.S.5
-
21
-
-
84862649997
-
Discovery of small molecules that bind to k-ras and inhibit sos-mediated activation
-
Sun Q, Burke JP, Phan J, Burns MC, Olejniczak ET, et al. (2012) Discovery of small molecules that bind to k-ras and inhibit sos-mediated activation. Angew Chem Int Ed Engl 51: 6140-6143.
-
(2012)
Angew Chem Int Ed Engl
, vol.51
, pp. 6140-6143
-
-
Sun, Q.1
Burke, J.P.2
Phan, J.3
Burns, M.C.4
Olejniczak, E.T.5
-
22
-
-
84859463451
-
Small-molecule ligands bind to a distinct pocket in ras and inhibit sos-mediated nucleotide exchange activity
-
Maurer T, Garrenton LS, Oh A, Pitts K, Anderson DJ, et al. (2012) Small-molecule ligands bind to a distinct pocket in ras and inhibit sos-mediated nucleotide exchange activity. Proc Natl Acad Sci U S A 109: 5299-5304.
-
(2012)
Proc Natl Acad Sci U S A
, vol.109
, pp. 5299-5304
-
-
Maurer, T.1
Garrenton, L.S.2
Oh, A.3
Pitts, K.4
Anderson, D.J.5
-
24
-
-
76049105922
-
Fragment-based screen against hiv protease
-
Perryman AL, Zhang Q, Soutter HH, Rosenfeld R, McRee DE, et al. (2010) Fragment-based screen against hiv protease. Chem Biol Drug Des 75: 257-268.
-
(2010)
Chem Biol Drug Des
, vol.75
, pp. 257-268
-
-
Perryman, A.L.1
Zhang, Q.2
Soutter, H.H.3
Rosenfeld, R.4
McRee, D.E.5
-
25
-
-
33751076241
-
Deconstructing fragment-based inhibitor discovery
-
Babaoglu K, Shoichet BK, (2006) Deconstructing fragment-based inhibitor discovery. Nat Chem Biol 2: 720-723.
-
(2006)
Nat Chem Biol
, vol.2
, pp. 720-723
-
-
Babaoglu, K.1
Shoichet, B.K.2
-
26
-
-
38149105771
-
Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site
-
Carra JH, McHugh CA, Mulligan S, Machiesky LM, Soares AS, et al. (2007) Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site. BMC Struct Biol 7: 72.
-
(2007)
BMC Struct Biol
, vol.7
, pp. 72
-
-
Carra, J.H.1
McHugh, C.A.2
Mulligan, S.3
Machiesky, L.M.4
Soares, A.S.5
-
27
-
-
49249150528
-
Ring current theories in nuclear magnetic resonance
-
Haigh C, Mallion R, (1979) Ring current theories in nuclear magnetic resonance. Prog Nucl Magn Reson Spectrosc 13: 303-344.
-
(1979)
Prog Nucl Magn Reson Spectrosc
, vol.13
, pp. 303-344
-
-
Haigh, C.1
Mallion, R.2
-
28
-
-
0038407231
-
Rapid and accurate calculation of protein 1 h, 13c and 15n chemical shifts
-
Neal S, Nip AM, Zhang H, Wishart DS, (2003) Rapid and accurate calculation of protein 1 h, 13c and 15n chemical shifts. J Biomol NMR 26: 215-240.
-
(2003)
J Biomol NMR
, vol.26
, pp. 215-240
-
-
Neal, S.1
Nip, A.M.2
Zhang, H.3
Wishart, D.S.4
-
29
-
-
0035544152
-
Automated prediction of 15n, 13calpha, 13cbeta and 13c′ chemical shifts in proteins using a density functional database
-
Xu XP, Case DA, (2001) Automated prediction of 15n, 13calpha, 13cbeta and 13c′ chemical shifts in proteins using a density functional database. J Biomol NMR 21: 321-333.
-
(2001)
J Biomol NMR
, vol.21
, pp. 321-333
-
-
Xu, X.P.1
Case, D.A.2
-
30
-
-
0033636878
-
Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations
-
McCoy MA, Wyss DF, (2000) Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations. J Biomol NMR 18: 189-198.
-
(2000)
J Biomol NMR
, vol.18
, pp. 189-198
-
-
McCoy, M.A.1
Wyss, D.F.2
-
31
-
-
20444486559
-
An inhibitor of bcl-2 family proteins induces regression of solid tumours
-
Oltersdorf T, Elmore SW, Shoemaker AR, Armstrong RC, Augeri DJ, et al. (2005) An inhibitor of bcl-2 family proteins induces regression of solid tumours. Nature 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
-
32
-
-
56249144184
-
Discovery of an orally bioavailable small molecule inhibitor of prosurvival b-cell lymphoma 2 proteins
-
Park CM, Bruncko M, Adickes J, Bauch J, Ding H, et al. (2008) Discovery of an orally bioavailable small molecule inhibitor of prosurvival b-cell lymphoma 2 proteins. J Med Chem 51: 6902-6915.
-
(2008)
J Med Chem
, vol.51
, pp. 6902-6915
-
-
Park, C.M.1
Bruncko, M.2
Adickes, J.3
Bauch, J.4
Ding, H.5
-
33
-
-
84871202790
-
Targeting the bcl-2 family for cancer therapy
-
Thomas S, Quinn BA, Das SK, Dash R, Emdad L, et al. (2013) Targeting the bcl-2 family for cancer therapy. Expert Opin Ther Targets 17: 61-75.
-
(2013)
Expert Opin Ther Targets
, vol.17
, pp. 61-75
-
-
Thomas, S.1
Quinn, B.A.2
Das, S.K.3
Dash, R.4
Emdad, L.5
-
34
-
-
32644473650
-
How the bcl-2 family of proteins interact to regulate apoptosis
-
van Delft MF, Huang DCS, (2006) How the bcl-2 family of proteins interact to regulate apoptosis. Cell Res 16: 203-213.
-
(2006)
Cell Res
, vol.16
, pp. 203-213
-
-
van Delft, M.F.1
Huang, D.C.S.2
-
35
-
-
37549048249
-
The bcl-2 protein family: opposing activities that mediate cell death
-
Youle RJ, Strasser A, (2008) The bcl-2 protein family: opposing activities that mediate cell death. Nat Rev Mol Cell Biol 9: 47-59.
-
(2008)
Nat Rev Mol Cell Biol
, vol.9
, pp. 47-59
-
-
Youle, R.J.1
Strasser, A.2
-
36
-
-
0030614915
-
Structure of bcl-xl-bak peptide complex: recognition between regulators of apoptosis
-
Sattler M, Liang H, Nettesheim D, Meadows RP, Harlan JE, et al. (1997) Structure of bcl-xl-bak peptide complex: recognition between regulators of apoptosis. Science 275: 983-986.
-
(1997)
Science
, vol.275
, pp. 983-986
-
-
Sattler, M.1
Liang, H.2
Nettesheim, D.3
Meadows, R.P.4
Harlan, J.E.5
-
37
-
-
17744396094
-
Rationale for bcl-xl/bad peptide complex formation from structure, mutagenesis, and biophysical studies
-
Petros AM, Nettesheim DG, Wang Y, Olejniczak ET, Meadows RP, et al. (2000) Rationale for bcl-xl/bad peptide complex formation from structure, mutagenesis, and biophysical studies. Protein Sci 9: 2528-2534.
-
(2000)
Protein Sci
, vol.9
, pp. 2528-2534
-
-
Petros, A.M.1
Nettesheim, D.G.2
Wang, Y.3
Olejniczak, E.T.4
Meadows, R.P.5
-
38
-
-
0042220409
-
The structure of a bcl-xl/bim fragment complex: implications for bim function
-
Liu X, Dai S, Zhu Y, Marrack P, Kappler JW, (2003) The structure of a bcl-xl/bim fragment complex: implications for bim function. Immunity 19: 341-352.
-
(2003)
Immunity
, vol.19
, pp. 341-352
-
-
Liu, X.1
Dai, S.2
Zhu, Y.3
Marrack, P.4
Kappler, J.W.5
-
39
-
-
34547689505
-
Molecular basis of bcl-xl's target recognition versatility revealed by the structure of bcl-xl in complex with the bh3 domain of beclin-1
-
Feng W, Huang S, Wu H, Zhang M, (2007) Molecular basis of bcl-xl's target recognition versatility revealed by the structure of bcl-xl in complex with the bh3 domain of beclin-1. J Mol Biol 372: 223-235.
-
(2007)
J Mol Biol
, vol.372
, pp. 223-235
-
-
Feng, W.1
Huang, S.2
Wu, H.3
Zhang, M.4
-
40
-
-
33847404358
-
Studies leading to potent, dual inhibitors of bcl-2 and bcl-xl
-
Bruncko M, Oost TK, Belli BA, Ding H, Joseph MK, et al. (2007) Studies leading to potent, dual inhibitors of bcl-2 and bcl-xl. J Med Chem 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
-
41
-
-
33744913530
-
Protein-ligand noe matching: a high-throughput method for binding pose evaluation that does not require protein nmr resonance assignments
-
Constantine KL, Davis ME, Metzler WJ, Mueller L, Claus BL, (2006) Protein-ligand noe matching: a high-throughput method for binding pose evaluation that does not require protein nmr resonance assignments. J Am Chem Soc 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
-
42
-
-
70349394112
-
Application of protein-ligand NOE matching to the rapid evaluation of fragment binding poses
-
In: Zartler ER, Shapiro MJ, editors, Chichester: John Wiley and sons
-
Metzler WJ, Caus BL, McDonnell PA, Johnson SR, Goldfarb V, et al. (2008) Application of protein-ligand NOE matching to the rapid evaluation of fragment binding poses. In: Zartler ER, Shapiro MJ, editors. Fragment-Based Drug Discovery. Chichester: John Wiley and sons. pp. 99-133.
-
(2008)
Fragment-Based Drug Discovery
, pp. 99-133
-
-
Metzler, W.J.1
Caus, B.L.2
McDonnell, P.A.3
Johnson, S.R.4
Goldfarb, V.5
-
43
-
-
0035443893
-
Dipolar couplings as a probe of molecular dynamics and structure in solution
-
Tolman JR, (2001) Dipolar couplings as a probe of molecular dynamics and structure in solution. Curr Opin Struct Biol 11: 532-539.
-
(2001)
Curr Opin Struct Biol
, vol.11
, pp. 532-539
-
-
Tolman, J.R.1
-
44
-
-
33645936984
-
Residual dipolar couplings: Measurements and applications to biomolecular studies
-
In: Webb GA, editor, Academic Press, Annual Reports on NMR Spectroscopy
-
Hu W, Wang L (2006) Residual dipolar couplings: Measurements and applications to biomolecular studies. In: Webb GA, editor, Annual Reports on NMR Spectroscopy, Academic Press, volume 58 of Annual Reports on NMR Spectroscopy. pp. 231-303.
-
(2006)
Annual Reports on NMR Spectroscopy
, vol.58
, pp. 231-303
-
-
Hu, W.1
Wang, L.2
-
45
-
-
77449091505
-
Bclxl changes conformation upon binding to wild-type but not mutant p53 dna binding domain
-
Hagn F, Klein C, Demmer O, Marchenko N, Vaseva A, et al. (2010) Bclxl changes conformation upon binding to wild-type but not mutant p53 dna binding domain. J Biol Chem 285: 3439-3450.
-
(2010)
J Biol Chem
, vol.285
, pp. 3439-3450
-
-
Hagn, F.1
Klein, C.2
Demmer, O.3
Marchenko, N.4
Vaseva, A.5
-
46
-
-
39649120317
-
Affinity makes the difference: nonselective interaction of the uba domain of ubiquilin-1 with monomeric ubiquitin and polyubiquitin chains
-
Zhang D, Raasi S, Fushman D, (2008) Affinity makes the difference: nonselective interaction of the uba domain of ubiquilin-1 with monomeric ubiquitin and polyubiquitin chains. J Mol Biol 377: 162-180.
-
(2008)
J Mol Biol
, vol.377
, pp. 162-180
-
-
Zhang, D.1
Raasi, S.2
Fushman, D.3
-
47
-
-
0344838627
-
Conformational differences in liganded and unliganded states of galectin-3
-
Umemoto K, Leffler H, Venot A, Valafar H, Prestegard JH, (2003) Conformational differences in liganded and unliganded states of galectin-3. Biochemistry 42: 3688-3695.
-
(2003)
Biochemistry
, vol.42
, pp. 3688-3695
-
-
Umemoto, K.1
Leffler, H.2
Venot, A.3
Valafar, H.4
Prestegard, J.H.5
-
48
-
-
0035941534
-
Conformational analysis of a exible oligosaccharide using residual dipolar couplings
-
Tian F, Al-Hashimi HM, Craighead JL, Prestegard JH, (2001) Conformational analysis of a exible oligosaccharide using residual dipolar couplings. J Am Chem Soc 123: 485-492.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 485-492
-
-
Tian, F.1
Al-Hashimi, H.M.2
Craighead, J.L.3
Prestegard, J.H.4
-
49
-
-
77949837779
-
Fragment-based deconstruction of bcl-xl inhibitors
-
Barelier S, Pons J, Marcillat O, Lancelin JM, Krimm I, (2010) Fragment-based deconstruction of bcl-xl inhibitors. J Med Chem 53: 2577-2588.
-
(2010)
J Med Chem
, vol.53
, pp. 2577-2588
-
-
Barelier, S.1
Pons, J.2
Marcillat, O.3
Lancelin, J.M.4
Krimm, I.5
-
50
-
-
70349932423
-
Autodock4 and autodock-tools4: Automated docking with selective receptor exibility
-
Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, et al. (2009) Autodock4 and autodock-tools4: Automated docking with selective receptor exibility. J Comput Chem 30: 2785-2791.
-
(2009)
J Comput Chem
, vol.30
, pp. 2785-2791
-
-
Morris, G.M.1
Huey, R.2
Lindstrom, W.3
Sanner, M.F.4
Belew, R.K.5
-
51
-
-
77249094569
-
Application of fragment-based nmr screening, x-ray crystallography, structure-based design, and focused chemical library design to identify novel microm leads for the development of nm bace-1 (beta-site app cleaving enzyme 1) inhibitors
-
Wang YS, Strickland C, Voigt JH, Kennedy ME, Beyer BM, et al. (2010) Application of fragment-based nmr screening, x-ray crystallography, structure-based design, and focused chemical library design to identify novel microm leads for the development of nm bace-1 (beta-site app cleaving enzyme 1) inhibitors. J Med Chem 53: 942-950.
-
(2010)
J Med Chem
, vol.53
, pp. 942-950
-
-
Wang, Y.S.1
Strickland, C.2
Voigt, J.H.3
Kennedy, M.E.4
Beyer, B.M.5
-
52
-
-
58049204429
-
Role of protein exibility in the design of bcl-x(l) targeting agents: insight from molecular dynamics
-
Novak W, Wang H, Krilov G, (2009) Role of protein exibility in the design of bcl-x(l) targeting agents: insight from molecular dynamics. J Comput Aided Mol Des 23: 49-61.
-
(2009)
J Comput Aided Mol Des
, vol.23
, pp. 49-61
-
-
Novak, W.1
Wang, H.2
Krilov, G.3
-
53
-
-
84859783234
-
Analysis of exibility and hotspots in bcl-xl and mcl-1 proteins for the design of selective small-molecule inhibitors
-
Yang CY, Wang S, (2012) Analysis of exibility and hotspots in bcl-xl and mcl-1 proteins for the design of selective small-molecule inhibitors. ACS Medicinal Chemistry Letters 3: 308-312.
-
(2012)
ACS Medicinal Chemistry Letters
, vol.3
, pp. 308-312
-
-
Yang, C.Y.1
Wang, S.2
-
54
-
-
0037009985
-
Spatial localization of ligand binding sites from electron current density surfaces calculated from nmr chemical shift perturbations
-
McCoy MA, Wyss DF, (2002) Spatial localization of ligand binding sites from electron current density surfaces calculated from nmr chemical shift perturbations. J Am Chem Soc 124: 11758-11763.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 11758-11763
-
-
McCoy, M.A.1
Wyss, D.F.2
-
55
-
-
70350508200
-
Steering protein-ligand docking with quantitative nmr chemical shift perturbations
-
Gonzlez-Ruiz D, Gohlke H, (2009) Steering protein-ligand docking with quantitative nmr chemical shift perturbations. J Chem Inf Model 49: 2260-2271.
-
(2009)
J Chem Inf Model
, vol.49
, pp. 2260-2271
-
-
Gonzlez-Ruiz, D.1
Gohlke, H.2
-
56
-
-
0034923356
-
Use of chemical shifts in macromolecular structure determination
-
Wishart DS, Case DA, (2001) Use of chemical shifts in macromolecular structure determination. Methods Enzymol 338: 3-34.
-
(2001)
Methods Enzymol
, vol.338
, pp. 3-34
-
-
Wishart, D.S.1
Case, D.A.2
-
57
-
-
33746645192
-
Cooperative hydrogen bonding effects are key determinants of backbone amide proton chemical shifts in proteins
-
Parker LL, Houk AR, Jensen JH, (2006) Cooperative hydrogen bonding effects are key determinants of backbone amide proton chemical shifts in proteins. J Am Chem Soc 128: 9863-9872.
-
(2006)
J Am Chem Soc
, vol.128
, pp. 9863-9872
-
-
Parker, L.L.1
Houk, A.R.2
Jensen, J.H.3
-
58
-
-
34249098127
-
A new model for chemical shifts of amide hydrogens in proteins
-
Moon S, Case DA, (2007) A new model for chemical shifts of amide hydrogens in proteins. J Biomol NMR 38: 139-150.
-
(2007)
J Biomol NMR
, vol.38
, pp. 139-150
-
-
Moon, S.1
Case, D.A.2
-
59
-
-
2342652311
-
Non-peptidic small-molecule inhibitors of the single-chain hepatitis c virus ns3 protease/ns4a cofactor complex discov-ered by structure-based nmr screening
-
Wyss DF, Arasappan A, Senior MM, Wang YS, Beyer BM, et al. (2004) Non-peptidic small-molecule inhibitors of the single-chain hepatitis c virus ns3 protease/ns4a cofactor complex discov-ered by structure-based nmr screening. J Med Chem 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
-
60
-
-
43049083331
-
Determination of protein-ligand binding modes using complexation-induced changes in (1)h nmr chemical shift
-
Cioffi M, Hunter CA, Packer MJ, Spitaleri A, (2008) Determination of protein-ligand binding modes using complexation-induced changes in (1)h nmr chemical shift. J Med Chem 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
-
61
-
-
57549112574
-
Use of quantitative (1)h nmr chemical shift changes for ligand docking into barnase
-
Cioffi M, Hunter CA, Packer MJ, Pandya MJ, Williamson MP, (2009) Use of quantitative (1)h nmr chemical shift changes for ligand docking into barnase. J Biomol NMR 43: 11-19.
-
(2009)
J Biomol NMR
, vol.43
, pp. 11-19
-
-
Cioffi, M.1
Hunter, C.A.2
Packer, M.J.3
Pandya, M.J.4
Williamson, M.P.5
-
62
-
-
0029400480
-
Nmrpipe: a multidimensional spectral processing system based on unix pipes
-
Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, et al. (1995) Nmrpipe: a multidimensional spectral processing system based on unix pipes. J Biomol NMR 6: 277-293.
-
(1995)
J Biomol NMR
, vol.6
, pp. 277-293
-
-
Delaglio, F.1
Grzesiek, S.2
Vuister, G.W.3
Zhu, G.4
Pfeifer, J.5
-
63
-
-
34249765651
-
Nmr view: A computer program for the visualization and analysis of nmr data
-
Johnson BA, Blevins RA, (1994) Nmr view: A computer program for the visualization and analysis of nmr data. J Biomol NMR 4: 603-614.
-
(1994)
J Biomol NMR
, vol.4
, pp. 603-614
-
-
Johnson, B.A.1
Blevins, R.A.2
-
64
-
-
0004757060
-
-
University of California, San Fransisco, CA
-
Goddard TD, Kneller DG (2004) Sparky 3. University of California, San Fransisco, CA.
-
(2004)
Sparky
, vol.3
-
-
Goddard, T.D.1
Kneller, D.G.2
-
65
-
-
35848958773
-
Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions
-
Schumann FH, Riepl H, Maurer T, Gronwald W, Neidig KP, et al. (2007) Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions. J Biomol NMR 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
-
66
-
-
0032976814
-
Complexation-induced changes in 1 h nmr chemical shift for supramolecular structure determination
-
Hunter CA, Packer MJ, (1999) Complexation-induced changes in 1 h nmr chemical shift for supramolecular structure determination. Chem Eur J 5: 1891-1897.
-
(1999)
Chem Eur J
, vol.5
, pp. 1891-1897
-
-
Hunter, C.A.1
Packer, M.J.2
-
67
-
-
80051686715
-
Structure-based prediction of methyl chemical shifts in proteins
-
Sahakyan AB, Vranken WF, Cavalli A, Vendruscolo M, (2011) Structure-based prediction of methyl chemical shifts in proteins. J Biomol NMR 50: 331-346.
-
(2011)
J Biomol NMR
, vol.50
, pp. 331-346
-
-
Sahakyan, A.B.1
Vranken, W.F.2
Cavalli, A.3
Vendruscolo, M.4
-
68
-
-
34547179849
-
Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homology
-
Shen Y, Bax A, (2007) Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homology. J Biomol NMR 38: 289-302.
-
(2007)
J Biomol NMR
, vol.38
, pp. 289-302
-
-
Shen, Y.1
Bax, A.2
-
69
-
-
79960264767
-
Definitive benchmark study of ring current effects on amide proton chemical shifts
-
Christensen AS, Sauer SPA, Jensen JH, (2011) Definitive benchmark study of ring current effects on amide proton chemical shifts. J Chem Theory Comput 7: 2078-2084.
-
(2011)
J Chem Theory Comput
, vol.7
, pp. 2078-2084
-
-
Christensen, A.S.1
Sauer, S.P.A.2
Jensen, J.H.3
-
70
-
-
0032042263
-
Measurement of j and dipolar couplings from simplified two-dimensional nmr spectra
-
Ottiger M, Delaglio F, Bax A, (1998) Measurement of j and dipolar couplings from simplified two-dimensional nmr spectra. J Magn Reson 131: 373-378.
-
(1998)
J Magn Reson
, vol.131
, pp. 373-378
-
-
Ottiger, M.1
Delaglio, F.2
Bax, A.3
-
71
-
-
0036922992
-
Structural properties of polyubiquitin chains in solution
-
Varadan R, Walker O, Pickart C, Fushman D, (2002) Structural properties of polyubiquitin chains in solution. J Mol Biol 324: 637-647.
-
(2002)
J Mol Biol
, vol.324
, pp. 637-647
-
-
Varadan, R.1
Walker, O.2
Pickart, C.3
Fushman, D.4
-
72
-
-
0033145058
-
Order matrix analysis of residual dipolar couplings using singular value decomposition
-
Losonczi JA, Andrec M, Fischer MW, Prestegard JH, (1999) Order matrix analysis of residual dipolar couplings using singular value decomposition. J Magn Reson 138: 334-342.
-
(1999)
J Magn Reson
, vol.138
, pp. 334-342
-
-
Losonczi, J.A.1
Andrec, M.2
Fischer, M.W.3
Prestegard, J.H.4
-
73
-
-
0032879507
-
R-factor, free r, and complete cross-validation for dipolar coupling refinement of nmr structures
-
Clore GM, Garrett DS, (1999) R-factor, free r, and complete cross-validation for dipolar coupling refinement of nmr structures. J Am Chem Soc 121: 9008-9012.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 9008-9012
-
-
Clore, G.M.1
Garrett, D.S.2
-
74
-
-
80054911951
-
Ligplot+: multiple ligand-protein interaction diagrams for drug discovery
-
Laskowski RA, Swindells MB, (2011) Ligplot+: multiple ligand-protein interaction diagrams for drug discovery. J Chem Inf Model 51: 2778-2786.
-
(2011)
J Chem Inf Model
, vol.51
, pp. 2778-2786
-
-
Laskowski, R.A.1
Swindells, M.B.2
-
75
-
-
0346457100
-
Bcl-xl mutations suppress cellular sensitivity to antimycin a
-
Manion MK, O'Neill JW, Giedt CD, Kim KM, Zhang KYZ, et al. (2004) Bcl-xl mutations suppress cellular sensitivity to antimycin a. J Biol Chem 279: 2159-2165.
-
(2004)
J Biol Chem
, vol.279
, pp. 2159-2165
-
-
Manion, M.K.1
O'Neill, J.W.2
Giedt, C.D.3
Kim, K.M.4
Zhang, K.Y.Z.5
-
76
-
-
5244224827
-
X-ray and nmr structure of human bcl-xl, an inhibitor of programmed cell death
-
Muchmore SW, Sattler M, Liang H, Meadows RP, Harlan JE, et al. (1996) X-ray and nmr structure of human bcl-xl, an inhibitor of programmed cell death. Nature 381: 335-341.
-
(1996)
Nature
, vol.381
, pp. 335-341
-
-
Muchmore, S.W.1
Sattler, M.2
Liang, H.3
Meadows, R.P.4
Harlan, J.E.5
|