-
1
-
-
0037032835
-
The protein kinase complement of the human genome
-
Manning, G.; Whyte, D. B.; Martinez, R.; Hunter, T.; Sudarsanam, S. The protein kinase complement of the human genome Science 2002, 298 (5600) 1912-1934
-
(2002)
Science
, vol.298
, Issue.5600
, pp. 1912-1934
-
-
Manning, G.1
Whyte, D.B.2
Martinez, R.3
Hunter, T.4
Sudarsanam, S.5
-
2
-
-
0029020282
-
Protein kinases 6. The eukaryotic protein kinase superfamily: Kinase (catalytic) domain structure and classification
-
Hanks, S. K.; Hunter, T. Protein kinases 6. The eukaryotic protein kinase superfamily: kinase (catalytic) domain structure and classification FASEB J. 1995, 9 (8) 576-596
-
(1995)
FASEB J.
, vol.9
, Issue.8
, pp. 576-596
-
-
Hanks, S.K.1
Hunter, T.2
-
3
-
-
0037005989
-
Protein kinases and protein phosphatases in prokaryotes: A genomic perspective
-
Kennelly, P. J. Protein kinases and protein phosphatases in prokaryotes: a genomic perspective FEMS Microbiol. Lett. 2002, 206 (1) 1-8
-
(2002)
FEMS Microbiol. Lett.
, vol.206
, Issue.1
, pp. 1-8
-
-
Kennelly, P.J.1
-
4
-
-
33644768012
-
Kinase inhibitors and airway inflammation
-
Adcock, I. M.; Chung, K. F.; Caramori, G.; Ito, K. Kinase inhibitors and airway inflammation Eur. J. Pharmacol. 2006, 533 (1-3) 118-132
-
(2006)
Eur. J. Pharmacol.
, vol.533
, Issue.1-3
, pp. 118-132
-
-
Adcock, I.M.1
Chung, K.F.2
Caramori, G.3
Ito, K.4
-
5
-
-
0027435064
-
The potential of protein kinase C as a target for anticancer treatment
-
Basu, A. The potential of protein kinase C as a target for anticancer treatment Pharmacol. Ther. 1993, 59 (3) 257-280
-
(1993)
Pharmacol. Ther.
, vol.59
, Issue.3
, pp. 257-280
-
-
Basu, A.1
-
6
-
-
0027536556
-
Therapeutic potential of protein kinase C inhibitors
-
Bradshaw, D.; Hill, C. H.; Nixon, J. S.; Wilkinson, S. E. Therapeutic potential of protein kinase C inhibitors Agents Actions 1993, 38 (1-2) 135-147
-
(1993)
Agents Actions
, vol.38
, Issue.1-2
, pp. 135-147
-
-
Bradshaw, D.1
Hill, C.H.2
Nixon, J.S.3
Wilkinson, S.E.4
-
7
-
-
0035808457
-
Indirubins inhibit glycogen synthase kinase-3 beta and CDK5/p25, two protein kinases involved in abnormal tau phosphorylation in Alzheimer's disease. A property common to most cyclin-dependent kinase inhibitors
-
Leclerc, S.; Garnier, M.; Hoessel, R.; Marko, D.; Bibb, J. A.; Snyder, G. L.; Greengard, P.; Biernat, J.; Wu, Y. Z.; Mandelkow, E. M.; Eisenbrand, G.; Meijer, L. Indirubins inhibit glycogen synthase kinase-3 beta and CDK5/p25, two protein kinases involved in abnormal tau phosphorylation in Alzheimer's disease. A property common to most cyclin-dependent kinase inhibitors J. Biol. Chem. 2001, 276 (1) 251-260
-
(2001)
J. Biol. Chem.
, vol.276
, Issue.1
, pp. 251-260
-
-
Leclerc, S.1
Garnier, M.2
Hoessel, R.3
Marko, D.4
Bibb, J.A.5
Snyder, G.L.6
Greengard, P.7
Biernat, J.8
Wu, Y.Z.9
Mandelkow, E.M.10
Eisenbrand, G.11
Meijer, L.12
-
8
-
-
33748764967
-
-a target for treating diabetic complications
-
-a target for treating diabetic complications Drugs Future 2006, 31 (6) 503-511
-
(2006)
Drugs Future
, vol.31
, Issue.6
, pp. 503-511
-
-
Sasase, T.1
-
9
-
-
20444436366
-
Drug discovery process for kinase inhibitors
-
Weinmann, H.; Metternich, R. Drug discovery process for kinase inhibitors ChemBioChem 2005, 6 (3) 455-459
-
(2005)
ChemBioChem
, vol.6
, Issue.3
, pp. 455-459
-
-
Weinmann, H.1
Metternich, R.2
-
10
-
-
0029947186
-
Effects of a selective inhibitor of the Abl tyrosine kinase on the growth of Bcr-Abl positive cells
-
Druker, B. J.; Tamura, S.; Buchdunger, E.; Ohno, S.; Segal, G. M.; Fanning, S.; Zimmermann, J.; Lydon, N. B. Effects of a selective inhibitor of the Abl tyrosine kinase on the growth of Bcr-Abl positive cells Nat. Med. 1996, 2 (5) 561-566
-
(1996)
Nat. Med.
, vol.2
, Issue.5
, pp. 561-566
-
-
Druker, B.J.1
Tamura, S.2
Buchdunger, E.3
Ohno, S.4
Segal, G.M.5
Fanning, S.6
Zimmermann, J.7
Lydon, N.B.8
-
11
-
-
0035939330
-
Studies leading to the identification of ZD1839 (IRESSA): An orally active, selective epidermal growth factor receptor tyrosine kinase inhibitor targeted to the treatment of cancer
-
Barker, A. J.; Gibson, K. H.; Grundy, W.; Godfrey, A. A.; Barlow, J. J.; Healy, M. P.; Woodburn, J. R.; Ashton, S. E.; Curry, B. J.; Scarlett, L.; Henthorn, L.; Richards, L. Studies leading to the identification of ZD1839 (IRESSA): an orally active, selective epidermal growth factor receptor tyrosine kinase inhibitor targeted to the treatment of cancer Bioorg. Med. Chem. Lett. 2001, 11 (14) 1911-1914
-
(2001)
Bioorg. Med. Chem. Lett.
, vol.11
, Issue.14
, pp. 1911-1914
-
-
Barker, A.J.1
Gibson, K.H.2
Grundy, W.3
Godfrey, A.A.4
Barlow, J.J.5
Healy, M.P.6
Woodburn, J.R.7
Ashton, S.E.8
Curry, B.J.9
Scarlett, L.10
Henthorn, L.11
Richards, L.12
-
12
-
-
2942592008
-
Dual kinase inhibition in the treatment of breast cancer: Initial experience with the EGFR/ErbB-2 inhibitor lapatinib
-
Burris, H. A., III. Dual kinase inhibition in the treatment of breast cancer: initial experience with the EGFR/ErbB-2 inhibitor lapatinib Oncologist 2004, 9 (3) 10-15
-
(2004)
Oncologist
, vol.9
, Issue.3
, pp. 10-15
-
-
Burris III, H.A.1
-
13
-
-
0037468875
-
Discovery of 5-[5-fluoro-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl]-2, 4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase
-
DOI 10.1021/jm0204183
-
Sun, L.; Liang, C.; Shirazian, S.; Zhou, Y.; Miller, T.; Cui, J.; Fukuda, J. Y.; Chu, J. Y.; Nematalla, A.; Wang, X.; Chen, H.; Sistla, A.; Luu, T. C.; Tang, F.; Wei, J.; Tang, C. Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase J. Med. Chem. 2003, 46 (7) 1116-1119 (Pubitemid 36428215)
-
(2003)
Journal of Medicinal Chemistry
, vol.46
, Issue.7
, pp. 1116-1119
-
-
Sun, L.1
Liang, C.2
Shirazian, S.3
Zhou, Y.4
Miller, T.5
Cui, J.6
Fukuda, J.Y.7
Chu, J.-Y.8
Nematalla, A.9
Wang, X.10
Chen, H.11
Sistla, A.12
Luu, T.C.13
Tang, F.14
Wei, J.15
Tang, C.16
-
14
-
-
1642323740
-
Protein kinase inhibitors: Insights into drug design from structure
-
Noble, M. E.; Endicott, J. A.; Johnson, L. N. Protein kinase inhibitors: insights into drug design from structure Science 2004, 303 (5665) 1800-1805
-
(2004)
Science
, vol.303
, Issue.5665
, pp. 1800-1805
-
-
Noble, M.E.1
Endicott, J.A.2
Johnson, L.N.3
-
16
-
-
4644235643
-
Virtual screening in lead discovery and optimization
-
Jain, A. N. Virtual screening in lead discovery and optimization Curr. Opin. Drug Discovery Dev. 2004, 7 (4) 396-403
-
(2004)
Curr. Opin. Drug Discovery Dev.
, vol.7
, Issue.4
, pp. 396-403
-
-
Jain, A.N.1
-
17
-
-
61349165523
-
Docking, virtual high throughput screening and in silico fragment-based drug design
-
Zoete, V.; Grosdidier, A.; Michielin, O. Docking, virtual high throughput screening and in silico fragment-based drug design J. Cell. Mol. Med. 2009, 13 (2) 238-248
-
(2009)
J. Cell. Mol. Med.
, vol.13
, Issue.2
, pp. 238-248
-
-
Zoete, V.1
Grosdidier, A.2
Michielin, O.3
-
18
-
-
35348821202
-
Virtual screening strategies in drug discovery
-
McInnes, C. Virtual screening strategies in drug discovery Curr. Opin. Chem. Biol. 2007, 11 (5) 494-502
-
(2007)
Curr. Opin. Chem. Biol.
, vol.11
, Issue.5
, pp. 494-502
-
-
McInnes, C.1
-
19
-
-
8844263008
-
Docking and scoring in virtual screening for drug discovery: Methods and applications
-
Kitchen, D. B.; Decornez, H.; Furr, J. R.; Bajorath, J. Docking and scoring in virtual screening for drug discovery: methods and applications Nat. Rev. Drug Discovery 2004, 3 (11) 935-949
-
(2004)
Nat. Rev. Drug Discovery
, vol.3
, Issue.11
, pp. 935-949
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
20
-
-
84986522918
-
-a new method for protein modelling and design. Applications to docking and structure prediction from the distorted native conformation
-
-a new method for protein modelling and design. Applications to docking and structure prediction from the distorted native conformation J. Comput. Chem. 1994, 15 (5) 488-506
-
(1994)
J. Comput. Chem.
, vol.15
, Issue.5
, pp. 488-506
-
-
Abagyan, R.A.1
Totrov, M.M.2
Kuznetsov, D.N.3
-
21
-
-
0035025191
-
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
-
Ewing, T. J.; Makino, S.; Skillman, A. G.; Kuntz, I. D. DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases J. Comput.-Aided Mol. Des. 2001, 15 (5) 411-428
-
(2001)
J. Comput.-Aided Mol. Des.
, vol.15
, Issue.5
, pp. 411-428
-
-
Ewing, T.J.1
Makino, S.2
Skillman, A.G.3
Kuntz, I.D.4
-
22
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function J. Comput. Chem. 1998, 19 (14) 1639-1662
-
(1998)
J. Comput. Chem.
, vol.19
, Issue.14
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
23
-
-
33244483907
-
On evaluating molecular-docking methods for pose prediction and enrichment factors
-
Chen, H.; Lyne, P. D.; Giordanetto, F.; Lovell, T.; Li, J. On evaluating molecular-docking methods for pose prediction and enrichment factors J. Chem. Inf. Model. 2006, 46 (1) 401-415
-
(2006)
J. Chem. Inf. Model.
, vol.46
, Issue.1
, pp. 401-415
-
-
Chen, H.1
Lyne, P.D.2
Giordanetto, F.3
Lovell, T.4
Li, J.5
-
24
-
-
13944263886
-
Comparison of automated docking programs as virtual screening tools
-
Cummings, M. D.; DesJarlais, R. L.; Gibbs, A. C.; Mohan, V.; Jaeger, E. P. Comparison of automated docking programs as virtual screening tools J. Med. Chem. 2005, 48 (4) 962-976
-
(2005)
J. Med. Chem.
, vol.48
, Issue.4
, pp. 962-976
-
-
Cummings, M.D.1
Desjarlais, R.L.2
Gibbs, A.C.3
Mohan, V.4
Jaeger, E.P.5
-
25
-
-
34548200847
-
Structure-based drug design: Docking and scoring
-
Kroemer, R. T. Structure-based drug design: docking and scoring Curr. Protein Pept. Sci. 2007, 8 (4) 312-328
-
(2007)
Curr. Protein Pept. Sci.
, vol.8
, Issue.4
, pp. 312-328
-
-
Kroemer, R.T.1
-
26
-
-
70949096942
-
Identification of death-associated protein kinases inhibitors using structure-based virtual screening
-
Okamoto, M.; Takayama, K.; Shimizu, T.; Ishida, K.; Takahashi, O.; Furuya, T. Identification of death-associated protein kinases inhibitors using structure-based virtual screening J. Med. Chem. 2009, 52 (22) 7323-7327
-
(2009)
J. Med. Chem.
, vol.52
, Issue.22
, pp. 7323-7327
-
-
Okamoto, M.1
Takayama, K.2
Shimizu, T.3
Ishida, K.4
Takahashi, O.5
Furuya, T.6
-
27
-
-
67651114006
-
Discovery of a novel protein kinase B inhibitor by structure-based virtual screening
-
Medina-Franco, J. L.; Giulianotti, M. A.; Yu, Y.; Shen, L.; Yao, L.; Singh, N. Discovery of a novel protein kinase B inhibitor by structure-based virtual screening Bioorg. Med. Chem. Lett. 2009, 19 (16) 4634-4638
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, Issue.16
, pp. 4634-4638
-
-
Medina-Franco, J.L.1
Giulianotti, M.A.2
Yu, Y.3
Shen, L.4
Yao, L.5
Singh, N.6
-
28
-
-
66349085848
-
Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening
-
Kiss, R.; Polgar, T.; Kirabo, A.; Sayyah, J.; Figueroa, N. C.; List, A. F.; Sokol, L.; Zuckerman, K. S.; Gali, M.; Bisht, K. S.; Sayeski, P. P.; Keseru, G. M. Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening Bioorg. Med. Chem. Lett. 2009, 19 (13) 3598-3601
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, Issue.13
, pp. 3598-3601
-
-
Kiss, R.1
Polgar, T.2
Kirabo, A.3
Sayyah, J.4
Figueroa, N.C.5
List, A.F.6
Sokol, L.7
Zuckerman, K.S.8
Gali, M.9
Bisht, K.S.10
Sayeski, P.P.11
Keseru, G.M.12
-
29
-
-
64349099331
-
Directed discovery of agents targeting the Met tyrosine kinase domain by virtual screening
-
Peach, M. L.; Tan, N.; Choyke, S. J.; Giubellino, A.; Athauda, G.; Burke, T. R., Jr.; Nicklaus, M. C.; Bottaro, D. P. Directed discovery of agents targeting the Met tyrosine kinase domain by virtual screening J. Med. Chem. 2009, 52 (4) 943-951
-
(2009)
J. Med. Chem.
, vol.52
, Issue.4
, pp. 943-951
-
-
Peach, M.L.1
Tan, N.2
Choyke, S.J.3
Giubellino, A.4
Athauda, G.5
Burke Jr., T.R.6
Nicklaus, M.C.7
Bottaro, D.P.8
-
30
-
-
64349120831
-
Structure-based drug design of novel Aurora kinase A inhibitors: Structural basis for potency and specificity
-
Coumar, M. S.; Leou, J. S.; Shukla, P.; Wu, J. S.; Dixit, A. K.; Lin, W. H.; Chang, C. Y.; Lien, T. W.; Tan, U. K.; Chen, C. H.; Hsu, J. T.; Chao, Y. S.; Wu, S. Y.; Hsieh, H. P. Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity J. Med. Chem. 2009, 52 (4) 1050-1062
-
(2009)
J. Med. Chem.
, vol.52
, Issue.4
, pp. 1050-1062
-
-
Coumar, M.S.1
Leou, J.S.2
Shukla, P.3
Wu, J.S.4
Dixit, A.K.5
Lin, W.H.6
Chang, C.Y.7
Lien, T.W.8
Tan, U.K.9
Chen, C.H.10
Hsu, J.T.11
Chao, Y.S.12
Wu, S.Y.13
Hsieh, H.P.14
-
31
-
-
1942471391
-
Assessing scoring functions for protein-ligand interactions
-
Ferrara, P.; Gohlke, H.; Price, D. J.; Klebe, G.; Brooks, C. L., III. Assessing scoring functions for protein-ligand interactions J. Med. Chem. 2004, 47 (12) 3032-3047
-
(2004)
J. Med. Chem.
, vol.47
, Issue.12
, pp. 3032-3047
-
-
Ferrara, P.1
Gohlke, H.2
Price, D.J.3
Klebe, G.4
Iii., L.B.C.5
-
32
-
-
42649138533
-
Assessment of programs for ligand binding affinity prediction
-
Kim, R.; Skolnick, J. Assessment of programs for ligand binding affinity prediction J. Comput. Chem. 2008, 29 (8) 1316-1331
-
(2008)
J. Comput. Chem.
, vol.29
, Issue.8
, pp. 1316-1331
-
-
Kim, R.1
Skolnick, J.2
-
33
-
-
0038460858
-
Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes
-
McGovern, S. L.; Shoichet, B. K. Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes J. Med. Chem. 2003, 46 (14) 2895-2907
-
(2003)
J. Med. Chem.
, vol.46
, Issue.14
, pp. 2895-2907
-
-
McGovern, S.L.1
Shoichet, B.K.2
-
34
-
-
0033954256
-
The Protein Data Bank
-
Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. The Protein Data Bank Nucleic Acids Res. 2000, 28 (1) 235-242
-
(2000)
Nucleic Acids Res.
, vol.28
, Issue.1
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
35
-
-
74249114654
-
Evaluation of template-based models in CASP8 with standard measures
-
Cozzetto, D.; Kryshtafovych, A.; Fidelis, K.; Moult, J.; Rost, B.; Tramontano, A. Evaluation of template-based models in CASP8 with standard measures Proteins 2009, 77 (9) 18-28
-
(2009)
Proteins
, vol.77
, Issue.9
, pp. 18-28
-
-
Cozzetto, D.1
Kryshtafovych, A.2
Fidelis, K.3
Moult, J.4
Rost, B.5
Tramontano, A.6
-
36
-
-
33646002994
-
Comparative modeling for protein structure prediction
-
Ginalski, K. Comparative modeling for protein structure prediction Curr. Opin. Struct. Biol. 2006, 16 (2) 172-177
-
(2006)
Curr. Opin. Struct. Biol.
, vol.16
, Issue.2
, pp. 172-177
-
-
Ginalski, K.1
-
37
-
-
20444484434
-
A decade of CASP: Progress, bottlenecks and prognosis in protein structure prediction
-
Moult, J. A decade of CASP: progress, bottlenecks and prognosis in protein structure prediction Curr. Opin. Struct. Biol. 2005, 15 (3) 285-289
-
(2005)
Curr. Opin. Struct. Biol.
, vol.15
, Issue.3
, pp. 285-289
-
-
Moult, J.1
-
38
-
-
77953052604
-
LHM: Low-resolution refinement for ligand comparative modeling
-
LHM: Low-resolution refinement for ligand comparative modeling J. Comput. Chem. 2010, 31 (5) 1093-1105
-
(2010)
J. Comput. Chem.
, vol.31
, Issue.5
, pp. 1093-1105
-
-
Brylinski, M.1
Skolnick, J.2
-
39
-
-
67650912101
-
FINDSITE(LHM): A threading-based approach to ligand homology modeling
-
(e1000405
-
Brylinski, M.; Skolnick, J. FINDSITE(LHM): a threading-based approach to ligand homology modeling PLoS Comput. Biol. 2009, 5 (6 e1000405
-
(2009)
PLoS Comput. Biol.
, vol.5
, Issue.6
-
-
Brylinski, M.1
Skolnick, J.2
-
40
-
-
0035866002
-
-a new approach to threading
-
-a new approach to threading Proteins 2001, 42 (3) 319-331
-
(2001)
Proteins
, vol.42
, Issue.3
, pp. 319-331
-
-
Skolnick, J.1
Kihara, D.2
-
41
-
-
3142764482
-
Development and large scale benchmark testing of the PROSPECTOR-3 threading algorithm
-
Skolnick, J.; Kihara, D.; Zhang, Y. Development and large scale benchmark testing of the PROSPECTOR-3 threading algorithm Proteins 2004, 56 (3) 502-518
-
(2004)
Proteins
, vol.56
, Issue.3
, pp. 502-518
-
-
Skolnick, J.1
Kihara, D.2
Zhang, Y.3
-
42
-
-
34247208044
-
Graph-based molecular alignment (GMA)
-
Marialke, J.; Korner, R.; Tietze, S.; Apostolakis, J. Graph-based molecular alignment (GMA) J. Chem. Inf. Model. 2007, 47 (2) 591-601
-
(2007)
J. Chem. Inf. Model.
, vol.47
, Issue.2
, pp. 591-601
-
-
Marialke, J.1
Korner, R.2
Tietze, S.3
Apostolakis, J.4
-
43
-
-
39449129349
-
Similarity based docking
-
Marialke, J.; Tietze, S.; Apostolakis, J. Similarity based docking J. Chem. Inf. Model. 2008, 48 (1) 186-196
-
(2008)
J. Chem. Inf. Model.
, vol.48
, Issue.1
, pp. 186-196
-
-
Marialke, J.1
Tietze, S.2
Apostolakis, J.3
-
44
-
-
46449128188
-
Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints
-
Brylinski, M.; Skolnick, J. Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints J. Comput. Chem. 2008, 29 (10) 1574-1588
-
(2008)
J. Comput. Chem.
, vol.29
, Issue.10
, pp. 1574-1588
-
-
Brylinski, M.1
Skolnick, J.2
-
45
-
-
0030248996
-
Low-resolution docking: Prediction of complexes for underdetermined structures
-
Vakser, I. A. Low-resolution docking: prediction of complexes for underdetermined structures Biopolymers 1996, 39 (3) 455-464
-
(1996)
Biopolymers
, vol.39
, Issue.3
, pp. 455-464
-
-
Vakser, I.A.1
-
46
-
-
0037079587
-
Docking of small ligands to low-resolution and theoretically predicted receptor structures
-
Wojciechowski, M.; Skolnick, J. Docking of small ligands to low-resolution and theoretically predicted receptor structures J. Comput. Chem. 2002, 23 (1) 189-197
-
(2002)
J. Comput. Chem.
, vol.23
, Issue.1
, pp. 189-197
-
-
Wojciechowski, M.1
Skolnick, J.2
-
47
-
-
2442676589
-
Automated structure prediction of weakly homologous proteins on a genomic scale
-
Zhang, Y.; Skolnick, J. Automated structure prediction of weakly homologous proteins on a genomic scale Proc. Natl. Acad. Sci. U.S.A. 2004, 101 (20) 7594-7599
-
(2004)
Proc. Natl. Acad. Sci. U.S.A.
, vol.101
, Issue.20
, pp. 7594-7599
-
-
Zhang, Y.1
Skolnick, J.2
-
48
-
-
16644386061
-
Tertiary structure predictions on a comprehensive benchmark of medium to large size proteins
-
Zhang, Y.; Skolnick, J. Tertiary structure predictions on a comprehensive benchmark of medium to large size proteins Biophys. J. 2004, 87 (4) 2647-2655
-
(2004)
Biophys. J.
, vol.87
, Issue.4
, pp. 2647-2655
-
-
Zhang, Y.1
Skolnick, J.2
-
49
-
-
13844312649
-
-a free database of commercially available compounds for virtual screening
-
-a free database of commercially available compounds for virtual screening J. Chem. Inf. Model. 2005, 45 (1) 177-182
-
(2005)
J. Chem. Inf. Model.
, vol.45
, Issue.1
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
50
-
-
33846108633
-
BindingDB: A web-accessible database of experimentally determined protein-ligand binding affinities
-
(Database issue)
-
Liu, T.; Lin, Y.; Wen, X.; Jorissen, R. N.; Gilson, M. K. BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities Nucleic Acids Res. 2007, 35, D198-D201 (Database issue)
-
(2007)
Nucleic Acids Res.
, vol.35
-
-
Liu, T.1
Lin, Y.2
Wen, X.3
Jorissen, R.N.4
Gilson, M.K.5
-
51
-
-
77958577936
-
-
MDL Drug Data Report; Prous Science.
-
MDL Drug Data Report; Prous Science, 2007; http://www.mdl.com/.
-
(2007)
-
-
-
52
-
-
33750991346
-
Benchmarking sets for molecular docking
-
Huang, N.; Shoichet, B. K.; Irwin, J. J. Benchmarking sets for molecular docking J. Med. Chem. 2006, 49 (23) 6789-6801
-
(2006)
J. Med. Chem.
, vol.49
, Issue.23
, pp. 6789-6801
-
-
Huang, N.1
Shoichet, B.K.2
Irwin, J.J.3
-
53
-
-
44449124693
-
Fast procedure for reconstruction of full-atom protein models from reduced representations
-
Rotkiewicz, P.; Skolnick, J. Fast procedure for reconstruction of full-atom protein models from reduced representations J. Comput. Chem. 2008, 29 (9) 1460-1465
-
(2008)
J. Comput. Chem.
, vol.29
, Issue.9
, pp. 1460-1465
-
-
Rotkiewicz, P.1
Skolnick, J.2
-
54
-
-
0041784950
-
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
-
MacKerell, A. D.; Bashford, D.; Bellott; Dunbrack, R. L.; Evanseck, J. D.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, W. E.; Roux, B.; Schlenkrich, M.; Smith, J. C.; Stote, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins J. Phys. Chem. B 1998, 102 (18) 3586-3616
-
(1998)
J. Phys. Chem. B
, vol.102
, Issue.18
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-Mccarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
55
-
-
0035838974
-
Extending the accuracy limits of prediction for side-chain conformations
-
Xiang, Z.; Honig, B. Extending the accuracy limits of prediction for side-chain conformations J. Mol. Biol. 2001, 311 (2) 421-430
-
(2001)
J. Mol. Biol.
, vol.311
, Issue.2
, pp. 421-430
-
-
Xiang, Z.1
Honig, B.2
-
56
-
-
38349100452
-
A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation
-
Brylinski, M.; Skolnick, J. A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation Proc. Natl. Acad. Sci. U.S.A. 2008, 105 (1) 129-134
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, Issue.1
, pp. 129-134
-
-
Brylinski, M.1
Skolnick, J.2
-
57
-
-
67449108422
-
FINDSITE: A combined evolution/structure-based approach to protein function prediction
-
Skolnick, J.; Brylinski, M. FINDSITE: a combined evolution/structure- based approach to protein function prediction Briefings Bioinf. 2009, 10 (4) 378-391
-
(2009)
Briefings Bioinf.
, vol.10
, Issue.4
, pp. 378-391
-
-
Skolnick, J.1
Brylinski, M.2
-
58
-
-
57049093235
-
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
-
Pencheva, T.; Lagorce, D.; Pajeva, I.; Villoutreix, B. O.; Miteva, M. A. AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening BMC Bioinf. 2008, 9, 438
-
(2008)
BMC Bioinf.
, vol.9
, pp. 438
-
-
Pencheva, T.1
Lagorce, D.2
Pajeva, I.3
Villoutreix, B.O.4
Miteva, M.A.5
-
59
-
-
37249065124
-
Generating conformer ensembles using a multiobjective genetic algorithm
-
Vainio, M. J.; Johnson, M. S. Generating conformer ensembles using a multiobjective genetic algorithm J. Chem. Inf. Model. 2007, 47 (6) 2462-2474
-
(2007)
J. Chem. Inf. Model.
, vol.47
, Issue.6
, pp. 2462-2474
-
-
Vainio, M.J.1
Johnson, M.S.2
-
60
-
-
0001048849
-
Stiffness and Energy Conservation in Molecular Dynamics: An Improved Integrator
-
Harrison, R. W. Stiffness and Energy Conservation in Molecular Dynamics: an Improved Integrator J. Comput. Chem. 1993, 14 (9) 1112-1122
-
(1993)
J. Comput. Chem.
, vol.14
, Issue.9
, pp. 1112-1122
-
-
Harrison, R.W.1
-
61
-
-
77949420656
-
Comparison of structure-based and threading-based approaches to protein functional annotation
-
Brylinski, M.; Skolnick, J. Comparison of structure-based and threading-based approaches to protein functional annotation Proteins 2010, 78 (1) 18-134
-
(2010)
Proteins
, vol.78
, Issue.1
, pp. 18-134
-
-
Brylinski, M.1
Skolnick, J.2
-
63
-
-
0043201432
-
Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys
-
Xue, L.; Godden, J. W.; Stahura, F. L.; Bajorath, J. Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys J. Chem. Inf. Comput. Sci. 2003, 43 (4) 1218-1225
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, Issue.4
, pp. 1218-1225
-
-
Xue, L.1
Godden, J.W.2
Stahura, F.L.3
Bajorath, J.4
-
64
-
-
65249170904
-
Binding site similarity analysis for the functional classification of the protein kinase family
-
Kinnings, S. L.; Jackson, R. M. Binding site similarity analysis for the functional classification of the protein kinase family J. Chem. Inf. Model. 2009, 49 (2) 318-329
-
(2009)
J. Chem. Inf. Model.
, vol.49
, Issue.2
, pp. 318-329
-
-
Kinnings, S.L.1
Jackson, R.M.2
-
65
-
-
10344232638
-
Scoring function for automated assessment of protein structure template quality
-
Zhang, Y.; Skolnick, J. Scoring function for automated assessment of protein structure template quality Proteins 2004, 57 (4) 702-710
-
(2004)
Proteins
, vol.57
, Issue.4
, pp. 702-710
-
-
Zhang, Y.1
Skolnick, J.2
-
66
-
-
13044272912
-
Automated analysis of interatomic contacts in proteins
-
Sobolev, V.; Sorokine, A.; Prilusky, J.; Abola, E. E.; Edelman, M. Automated analysis of interatomic contacts in proteins Bioinformatics 1999, 15 (4) 327-332
-
(1999)
Bioinformatics
, vol.15
, Issue.4
, pp. 327-332
-
-
Sobolev, V.1
Sorokine, A.2
Prilusky, J.3
Abola, E.E.4
Edelman, M.5
-
67
-
-
0036081122
-
LIGAND: Database of chemical compounds and reactions in biological pathways
-
Goto, S.; Okuno, Y.; Hattori, M.; Nishioka, T.; Kanehisa, M. LIGAND: database of chemical compounds and reactions in biological pathways Nucleic Acids Res. 2002, 30 (1) 402-404
-
(2002)
Nucleic Acids Res.
, vol.30
, Issue.1
, pp. 402-404
-
-
Goto, S.1
Okuno, Y.2
Hattori, M.3
Nishioka, T.4
Kanehisa, M.5
-
68
-
-
23844444239
-
Hierarchical docking of databases of multiple ligand conformations
-
Lorber, D. M.; Shoichet, B. K. Hierarchical docking of databases of multiple ligand conformations Curr. Top. Med. Chem. 2005, 5 (8) 739-749
-
(2005)
Curr. Top. Med. Chem.
, vol.5
, Issue.8
, pp. 739-749
-
-
Lorber, D.M.1
Shoichet, B.K.2
-
69
-
-
4444221565
-
-a visualization system for exploratory research and analysis
-
-a visualization system for exploratory research and analysis J. Comput. Chem. 2004, 25 (13) 1605-1612
-
(2004)
J. Comput. Chem.
, vol.25
, Issue.13
, pp. 1605-1612
-
-
Pettersen, E.F.1
Goddard, T.D.2
Huang, C.C.3
Couch, G.S.4
Greenblatt, D.M.5
Meng, E.C.6
Ferrin, T.E.7
-
70
-
-
33745359822
-
The Blue Obelisk-interoperability in chemical informatics
-
Guha, R.; Howard, M. T.; Hutchison, G. R.; Murray-Rust, P.; Rzepa, H.; Steinbeck, C.; Wegner, J.; Willighagen, E. L. The Blue Obelisk-interoperability in chemical informatics J. Chem. Inf. Model. 2006, 46 (3) 991-998
-
(2006)
J. Chem. Inf. Model.
, vol.46
, Issue.3
, pp. 991-998
-
-
Guha, R.1
Howard, M.T.2
Hutchison, G.R.3
Murray-Rust, P.4
Rzepa, H.5
Steinbeck, C.6
Wegner, J.7
Willighagen, E.L.8
-
71
-
-
0033669056
-
Combination of molecular similarity measures using data fusion
-
Ginn, C. M. R.; Willett, P.; Bradshaw, J. Combination of molecular similarity measures using data fusion Perspect. Drug Discovery Des. 2000, 20, 1-16
-
(2000)
Perspect. Drug Discovery Des.
, vol.20
, pp. 1-16
-
-
Ginn, C.M.R.1
Willett, P.2
Bradshaw, J.3
-
72
-
-
2942700377
-
Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures
-
Hert, J.; Willett, P.; Wilton, D. J.; Acklin, P.; Azzaoui, K.; Jacoby, E.; Schuffenhauer, A. Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures J. Chem. Inf. Comput. Sci. 2004, 44 (3) 1177-1185
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, Issue.3
, pp. 1177-1185
-
-
Hert, J.1
Willett, P.2
Wilton, D.J.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
73
-
-
34247272948
-
Evaluating virtual screening methods: Good and bad metrics for the "early recognition" problem
-
Truchon, J. F.; Bayly, C. I. Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem J. Chem. Inf. Model. 2007, 47 (2) 488-508
-
(2007)
J. Chem. Inf. Model.
, vol.47
, Issue.2
, pp. 488-508
-
-
Truchon, J.F.1
Bayly, C.I.2
-
74
-
-
0028579677
-
Protein kinase C inhibitors: Novel spirosesquiterpene aldehydes from a marine sponge Aka (= Siphonodictyon) coralliphagum
-
Chan, J. A.; Freyer, A. J.; Carte, B. K.; Hemling, M. E.; Hofmann, G. A.; Mattern, M. R.; Mentzer, M. A.; Westley, J. W. Protein kinase C inhibitors: novel spirosesquiterpene aldehydes from a marine sponge Aka (= Siphonodictyon) coralliphagum J. Nat. Prod. 1994, 57 (11) 1543-1548
-
(1994)
J. Nat. Prod.
, vol.57
, Issue.11
, pp. 1543-1548
-
-
Chan, J.A.1
Freyer, A.J.2
Carte, B.K.3
Hemling, M.E.4
Hofmann, G.A.5
Mattern, M.R.6
Mentzer, M.A.7
Westley, J.W.8
-
75
-
-
0025942516
-
The bisindolylmaleimide GF 109203X is a potent and selective inhibitor of protein kinase C
-
Toullec, D.; Pianetti, P.; Coste, H.; Bellevergue, P.; Grand-Perret, T.; Ajakane, M.; Baudet, V.; Boissin, P.; Boursier, E.; Loriolle, F.; et al. The bisindolylmaleimide GF 109203X is a potent and selective inhibitor of protein kinase C J. Biol. Chem. 1991, 266 (24) 15771-15781
-
(1991)
J. Biol. Chem.
, vol.266
, Issue.24
, pp. 15771-15781
-
-
Toullec, D.1
Pianetti, P.2
Coste, H.3
Bellevergue, P.4
Grand-Perret, T.5
Ajakane, M.6
Baudet, V.7
Boissin, P.8
Boursier, E.9
Loriolle, F.10
-
76
-
-
0027157640
-
Selective inhibition of protein kinase C isozymes by the indolocarbazole Go 6976
-
Martiny-Baron, G.; Kazanietz, M. G.; Mischak, H.; Blumberg, P. M.; Kochs, G.; Hug, H.; Marme, D.; Schachtele, C. Selective inhibition of protein kinase C isozymes by the indolocarbazole Go 6976 J. Biol. Chem. 1993, 268 (13) 9194-9197
-
(1993)
J. Biol. Chem.
, vol.268
, Issue.13
, pp. 9194-9197
-
-
Martiny-Baron, G.1
Kazanietz, M.G.2
Mischak, H.3
Blumberg, P.M.4
Kochs, G.5
Hug, H.6
Marme, D.7
Schachtele, C.8
-
77
-
-
23844478286
-
Novel protein kinase C-beta isoform selective inhibitor JTT-010 ameliorates both hyper- and hypoalgesia in streptozotocin- induced diabetic rats
-
Sasase, T.; Yamada, H.; Sakoda, K.; Imagawa, N.; Abe, T.; Ito, M.; Sagawa, S.; Tanaka, M.; Matsushita, M. Novel protein kinase C-beta isoform selective inhibitor JTT-010 ameliorates both hyper- and hypoalgesia in streptozotocin- induced diabetic rats Diabetes, Obes. Metab. 2005, 7 (5) 586-594
-
(2005)
Diabetes, Obes. Metab.
, vol.7
, Issue.5
, pp. 586-594
-
-
Sasase, T.1
Yamada, H.2
Sakoda, K.3
Imagawa, N.4
Abe, T.5
Ito, M.6
Sagawa, S.7
Tanaka, M.8
Matsushita, M.9
-
78
-
-
0030949418
-
Activation of protein kinase C subtypes alpha, gamma, delta, epsilon, zeta, and eta by tumor-promoting and nontumor-promoting agents
-
Geiges, D.; Meyer, T.; Marte, B.; Vanek, M.; Weissgerber, G.; Stabel, S.; Pfeilschifter, J.; Fabbro, D.; Huwiler, A. Activation of protein kinase C subtypes alpha, gamma, delta, epsilon, zeta, and eta by tumor-promoting and nontumor-promoting agents Biochem. Pharmacol. 1997, 53 (6) 865-675
-
(1997)
Biochem. Pharmacol.
, vol.53
, Issue.6
, pp. 865-675
-
-
Geiges, D.1
Meyer, T.2
Marte, B.3
Vanek, M.4
Weissgerber, G.5
Stabel, S.6
Pfeilschifter, J.7
Fabbro, D.8
Huwiler, A.9
-
79
-
-
0027978538
-
Protein kinase C and mammary cell differentiation: Involvement of protein kinase C alpha in the induction of beta-casein expression
-
Marte, B. M.; Meyer, T.; Stabel, S.; Standke, G. J.; Jaken, S.; Fabbro, D.; Hynes, N. E. Protein kinase C and mammary cell differentiation: involvement of protein kinase C alpha in the induction of beta-casein expression Cell Growth Differ. 1994, 5 (3) 239-247
-
(1994)
Cell Growth Differ.
, vol.5
, Issue.3
, pp. 239-247
-
-
Marte, B.M.1
Meyer, T.2
Stabel, S.3
Standke, G.J.4
Jaken, S.5
Fabbro, D.6
Hynes, N.E.7
-
80
-
-
0028339457
-
Rottlerin, a novel protein kinase inhibitor
-
Gschwendt, M.; Muller, H. J.; Kielbassa, K.; Zang, R.; Kittstein, W.; Rincke, G.; Marks, F. Rottlerin, a novel protein kinase inhibitor Biochem. Biophys. Res. Commun. 1994, 199 (1) 93-98
-
(1994)
Biochem. Biophys. Res. Commun.
, vol.199
, Issue.1
, pp. 93-98
-
-
Gschwendt, M.1
Muller, H.J.2
Kielbassa, K.3
Zang, R.4
Kittstein, W.5
Rincke, G.6
Marks, F.7
-
81
-
-
8944246315
-
(S)-13-[(dimethylamino)methyl]-10,11,14,15-tetrahydro-4,9:16, 21-dimetheno-1H,13H-dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecene-1, 3(2H)-dione (LY333531) and related analogues: Isozyme selective inhibitors of protein kinase C beta
-
Jirousek, M. R.; Gillig, J. R.; Gonzalez, C. M.; Heath, W. F.; McDonald, J. H.; Neel, D. A.; Rito, C. J.; Singh, U.; Stramm, L. E.; Melikian-Badalian, A.; Baevsky, M.; Ballas, L. M.; Hall, S. E.; Winneroski, L. L.; Faul, M. M. (S)-13-[(dimethylamino)methyl]-10,11,14,15-tetrahydro-4,9:16,21-dimetheno-1H, 13H-dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecene-1,3(2H)-dione (LY333531) and related analogues: isozyme selective inhibitors of protein kinase C beta J. Med. Chem. 1996, 39 (14) 2664-2671
-
(1996)
J. Med. Chem.
, vol.39
, Issue.14
, pp. 2664-2671
-
-
Jirousek, M.R.1
Gillig, J.R.2
Gonzalez, C.M.3
Heath, W.F.4
McDonald, J.H.5
Neel, D.A.6
Rito, C.J.7
Singh, U.8
Stramm, L.E.9
Melikian-Badalian, A.10
Baevsky, M.11
Ballas, L.M.12
Hall, S.E.13
Winneroski, L.L.14
Faul, M.M.15
-
82
-
-
0022491419
-
Staurosporine, a potent inhibitor of phospholipid/Ca++ dependent protein kinase
-
Tamaoki, T.; Nomoto, H.; Takahashi, I.; Kato, Y.; Morimoto, M.; Tomita, F. Staurosporine, a potent inhibitor of phospholipid/Ca++ dependent protein kinase Biochem. Biophys. Res. Commun. 1986, 135 (2) 397-402
-
(1986)
Biochem. Biophys. Res. Commun.
, vol.135
, Issue.2
, pp. 397-402
-
-
Tamaoki, T.1
Nomoto, H.2
Takahashi, I.3
Kato, Y.4
Morimoto, M.5
Tomita, F.6
-
83
-
-
0028306807
-
Differential inhibition of protein kinase C isozymes by UCN-01, a staurosporine analogue
-
Seynaeve, C. M.; Kazanietz, M. G.; Blumberg, P. M.; Sausville, E. A.; Worland, P. J. Differential inhibition of protein kinase C isozymes by UCN-01, a staurosporine analogue Mol. Pharmacol. 1994, 45 (6) 1207-1214
-
(1994)
Mol. Pharmacol.
, vol.45
, Issue.6
, pp. 1207-1214
-
-
Seynaeve, C.M.1
Kazanietz, M.G.2
Blumberg, P.M.3
Sausville, E.A.4
Worland, P.J.5
-
85
-
-
70450106216
-
Improved prediction of protein side-chain conformations with SCWRL4
-
Krivov, G. G.; Shapovalov, M. V.; Dunbrack, R. L., Jr. Improved prediction of protein side-chain conformations with SCWRL4 Proteins 2009, 77 (4) 778-795
-
(2009)
Proteins
, vol.77
, Issue.4
, pp. 778-795
-
-
Krivov, G.G.1
Shapovalov, M.V.2
Dunbrack Jr., R.L.3
-
86
-
-
0036149564
-
Side-chain modeling with an optimized scoring function
-
Liang, S.; Grishin, N. V. Side-chain modeling with an optimized scoring function Protein Sci. 2002, 11 (2) 322-331
-
(2002)
Protein Sci.
, vol.11
, Issue.2
, pp. 322-331
-
-
Liang, S.1
Grishin, N.V.2
-
87
-
-
33847037100
-
Prediction of side-chain conformations on protein surfaces
-
Xiang, Z.; Steinbach, P. J.; Jacobson, M. P.; Friesner, R. A.; Honig, B. Prediction of side-chain conformations on protein surfaces Proteins 2007, 66 (4) 814-823
-
(2007)
Proteins
, vol.66
, Issue.4
, pp. 814-823
-
-
Xiang, Z.1
Steinbach, P.J.2
Jacobson, M.P.3
Friesner, R.A.4
Honig, B.5
-
88
-
-
33646833091
-
Structure selection for protein kinase docking and virtual screening: Homology models or crystal structures
-
Rockey, W. M.; Elcock, A. H. Structure selection for protein kinase docking and virtual screening: homology models or crystal structures Curr. Protein Pept. Sci. 2006, 7 (5) 437-457
-
(2006)
Curr. Protein Pept. Sci.
, vol.7
, Issue.5
, pp. 437-457
-
-
Rockey, W.M.1
Elcock, A.H.2
-
89
-
-
33846899405
-
Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors
-
Liao, J. J. Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors J. Med. Chem. 2007, 50 (3) 409-424
-
(2007)
J. Med. Chem.
, vol.50
, Issue.3
, pp. 409-424
-
-
Liao, J.J.1
-
90
-
-
19744365702
-
A small molecule-kinase interaction map for clinical kinase inhibitors
-
Fabian, M. A.; Biggs, W. H., III; Treiber, D. K.; Atteridge, C. E.; Azimioara, M. D.; Benedetti, M. G.; Carter, T. A.; Ciceri, P.; Edeen, P. T.; Floyd, M.; Ford, J. M.; Galvin, M.; Gerlach, J. L.; Grotzfeld, R. M.; Herrgard, S.; Insko, D. E.; Insko, M. A.; Lai, A. G.; Lelias, J. M.; Mehta, S. A.; Milanov, Z. V.; Velasco, A. M.; Wodicka, L. M.; Patel, H. K.; Zarrinkar, P. P.; Lockhart, D. J. A small molecule-kinase interaction map for clinical kinase inhibitors Nat. Biotechnol. 2005, 23 (3) 329-336
-
(2005)
Nat. Biotechnol.
, vol.23
, Issue.3
, pp. 329-336
-
-
Fabian, M.A.1
Iii, H.B.W.2
Treiber, D.K.3
Atteridge, C.E.4
Azimioara, M.D.5
Benedetti, M.G.6
Carter, T.A.7
Ciceri, P.8
Edeen, P.T.9
Floyd, M.10
Ford, J.M.11
Galvin, M.12
Gerlach, J.L.13
Grotzfeld, R.M.14
Herrgard, S.15
Insko, D.E.16
Insko, M.A.17
Lai, A.G.18
Lelias, J.M.19
Mehta, S.A.20
Milanov, Z.V.21
Velasco, A.M.22
Wodicka, L.M.23
Patel, H.K.24
Zarrinkar, P.P.25
Lockhart, D.J.26
more..
-
91
-
-
38049018155
-
A quantitative analysis of kinase inhibitor selectivity
-
Karaman, M. W.; Herrgard, S.; Treiber, D. K.; Gallant, P.; Atteridge, C. E.; Campbell, B. T.; Chan, K. W.; Ciceri, P.; Davis, M. I.; Edeen, P. T.; Faraoni, R.; Floyd, M.; Hunt, J. P.; Lockhart, D. J.; Milanov, Z. V.; Morrison, M. J.; Pallares, G.; Patel, H. K.; Pritchard, S.; Wodicka, L. M.; Zarrinkar, P. P. A quantitative analysis of kinase inhibitor selectivity Nat. Biotechnol. 2008, 26 (1) 127-132
-
(2008)
Nat. Biotechnol.
, vol.26
, Issue.1
, pp. 127-132
-
-
Karaman, M.W.1
Herrgard, S.2
Treiber, D.K.3
Gallant, P.4
Atteridge, C.E.5
Campbell, B.T.6
Chan, K.W.7
Ciceri, P.8
Davis, M.I.9
Edeen, P.T.10
Faraoni, R.11
Floyd, M.12
Hunt, J.P.13
Lockhart, D.J.14
Milanov, Z.V.15
Morrison, M.J.16
Pallares, G.17
Patel, H.K.18
Pritchard, S.19
Wodicka, L.M.20
Zarrinkar, P.P.21
more..
-
92
-
-
0031253655
-
Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2
-
Lawrie, A. M.; Noble, M. E.; Tunnah, P.; Brown, N. R.; Johnson, L. N.; Endicott, J. A. Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2 Nat. Struct. Biol. 1997, 4 (10) 796-801
-
(1997)
Nat. Struct. Biol.
, vol.4
, Issue.10
, pp. 796-801
-
-
Lawrie, A.M.1
Noble, M.E.2
Tunnah, P.3
Brown, N.R.4
Johnson, L.N.5
Endicott, J.A.6
-
93
-
-
0031574365
-
Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential
-
Prade, L.; Engh, R. A.; Girod, A.; Kinzel, V.; Huber, R.; Bossemeyer, D. Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential Structure 1997, 5 (12) 1627-1637
-
(1997)
Structure
, vol.5
, Issue.12
, pp. 1627-1637
-
-
Prade, L.1
Engh, R.A.2
Girod, A.3
Kinzel, V.4
Huber, R.5
Bossemeyer, D.6
-
94
-
-
0032213794
-
Analogs of staurosporine: Potential anticancer drugs?
-
DOI 10.1016/S0306-3623(98)00069-X, PII S030636239800069X
-
Gescher, A. Analogs of staurosporine: potential anticancer drugs Gen. Pharmacol. 1998, 31 (5) 721-728 (Pubitemid 28520048)
-
(1998)
General Pharmacology
, vol.31
, Issue.5
, pp. 721-728
-
-
Gescher, A.1
-
95
-
-
2942721004
-
Virtual screening using protein-ligand docking: Avoiding artificial enrichment
-
Verdonk, M. L.; Berdini, V.; Hartshorn, M. J.; Mooij, W. T.; Murray, C. W.; Taylor, R. D.; Watson, P. Virtual screening using protein-ligand docking: avoiding artificial enrichment J. Chem. Inf. Comput. Sci. 2004, 44 (3) 793-806
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, Issue.3
, pp. 793-806
-
-
Verdonk, M.L.1
Berdini, V.2
Hartshorn, M.J.3
Mooij, W.T.4
Murray, C.W.5
Taylor, R.D.6
Watson, P.7
-
96
-
-
67650097331
-
Comparison of several molecular docking programs: Pose prediction and virtual screening accuracy
-
Cross, J. B.; Thompson, D. C.; Rai, B. K.; Baber, J. C.; Fan, K. Y.; Hu, Y.; Humblet, C. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy J. Chem. Inf. Model. 2009, 49 (6) 1455-1474
-
(2009)
J. Chem. Inf. Model.
, vol.49
, Issue.6
, pp. 1455-1474
-
-
Cross, J.B.1
Thompson, D.C.2
Rai, B.K.3
Baber, J.C.4
Fan, K.Y.5
Hu, Y.6
Humblet, C.7
-
97
-
-
70350495639
-
Novel approach for efficient pharmacophore-based virtual screening: Method and applications
-
Dror, O.; Schneidman-Duhovny, D.; Inbar, Y.; Nussinov, R.; Wolfson, H. J. Novel approach for efficient pharmacophore-based virtual screening: method and applications J. Chem. Inf. Model. 2009, 49 (10) 2333-2343
-
(2009)
J. Chem. Inf. Model.
, vol.49
, Issue.10
, pp. 2333-2343
-
-
Dror, O.1
Schneidman-Duhovny, D.2
Inbar, Y.3
Nussinov, R.4
Wolfson, H.J.5
-
98
-
-
72949087796
-
Molecular docking screens using comparative models of proteins
-
Fan, H.; Irwin, J. J.; Webb, B. M.; Klebe, G.; Shoichet, B. K.; Sali, A. Molecular docking screens using comparative models of proteins J. Chem. Inf. Model. 2009, 49 (11) 2512-2527
-
(2009)
J. Chem. Inf. Model.
, vol.49
, Issue.11
, pp. 2512-2527
-
-
Fan, H.1
Irwin, J.J.2
Webb, B.M.3
Klebe, G.4
Shoichet, B.K.5
Sali, A.6
-
99
-
-
76449085493
-
Computation of 3D queries for ROCS based virtual screens
-
Tawa, G. J.; Baber, J. C.; Humblet, C. Computation of 3D queries for ROCS based virtual screens J. Comput.-Aided Mol. Des. 2009, 23 (12) 853-868
-
(2009)
J. Comput.-Aided Mol. Des.
, vol.23
, Issue.12
, pp. 853-868
-
-
Tawa, G.J.1
Baber, J.C.2
Humblet, C.3
-
100
-
-
65249142225
-
Comparison of ligand- and structure-based virtual screening on the DUD data set
-
von Korff, M.; Freyss, J.; Sander, T. Comparison of ligand- and structure-based virtual screening on the DUD data set J. Chem. Inf. Model. 2009, 49 (2) 209-231
-
(2009)
J. Chem. Inf. Model.
, vol.49
, Issue.2
, pp. 209-231
-
-
Von Korff, M.1
Freyss, J.2
Sander, T.3
-
101
-
-
0024565678
-
Studies and prospectives of the protein kinase c family for cellular regulation
-
Nishizuka, Y. Studies and prospectives of the protein kinase c family for cellular regulation Cancer 1989, 63 (10) 1892-1903
-
(1989)
Cancer
, vol.63
, Issue.10
, pp. 1892-1903
-
-
Nishizuka, Y.1
-
102
-
-
0030762437
-
The potential for isoenzyme-selective modulation of protein kinase C
-
Hofmann, J. The potential for isoenzyme-selective modulation of protein kinase C FASEB J. 1997, 11 (8) 649-669
-
(1997)
FASEB J.
, vol.11
, Issue.8
, pp. 649-669
-
-
Hofmann, J.1
-
103
-
-
0032104245
-
The extended protein kinase C superfamily
-
Mellor, H.; Parker, P. J. The extended protein kinase C superfamily Biochem. J. 1998, 332, 281-292
-
(1998)
Biochem. J.
, vol.332
, pp. 281-292
-
-
Mellor, H.1
Parker, P.J.2
-
104
-
-
0034306450
-
Specificity and mechanism of action of some commonly used protein kinase inhibitors
-
Davies, S. P.; Reddy, H.; Caivano, M.; Cohen, P. Specificity and mechanism of action of some commonly used protein kinase inhibitors Biochem. J. 2000, 351 (Pt 1) 95-105
-
(2000)
Biochem. J.
, vol.351
, Issue.PART 1
, pp. 95-105
-
-
Davies, S.P.1
Reddy, H.2
Caivano, M.3
Cohen, P.4
-
105
-
-
34548511124
-
Rottlerin: An inappropriate and ineffective inhibitor of PKCdelta
-
Soltoff, S. P. Rottlerin: an inappropriate and ineffective inhibitor of PKCdelta Trends Pharmacol. Sci. 2007, 28 (9) 453-458
-
(2007)
Trends Pharmacol. Sci.
, vol.28
, Issue.9
, pp. 453-458
-
-
Soltoff, S.P.1
-
106
-
-
0142028937
-
Kinases, homology models, and high throughput docking
-
Diller, D. J.; Li, R. Kinases, homology models, and high throughput docking J. Med. Chem. 2003, 46 (22) 4638-4647
-
(2003)
J. Med. Chem.
, vol.46
, Issue.22
, pp. 4638-4647
-
-
Diller, D.J.1
Li, R.2
-
107
-
-
42949150113
-
High-throughput kinase profiling as a platform for drug discovery
-
Goldstein, D. M.; Gray, N. S.; Zarrinkar, P. P. High-throughput kinase profiling as a platform for drug discovery Nat. Rev. Drug Discovery 2008, 7 (5) 391-397
-
(2008)
Nat. Rev. Drug Discovery
, vol.7
, Issue.5
, pp. 391-397
-
-
Goldstein, D.M.1
Gray, N.S.2
Zarrinkar, P.P.3
-
108
-
-
4944249117
-
BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis
-
Wilhelm, S. M.; Carter, C.; Tang, L.; Wilkie, D.; McNabola, A.; Rong, H.; Chen, C.; Zhang, X.; Vincent, P.; McHugh, M.; Cao, Y.; Shujath, J.; Gawlak, S.; Eveleigh, D.; Rowley, B.; Liu, L.; Adnane, L.; Lynch, M.; Auclair, D.; Taylor, I.; Gedrich, R.; Voznesensky, A.; Riedl, B.; Post, L. E.; Bollag, G.; Trail, P. A. BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis Cancer Res. 2004, 64 (19) 7099-7109
-
(2004)
Cancer Res.
, vol.64
, Issue.19
, pp. 7099-7109
-
-
Wilhelm, S.M.1
Carter, C.2
Tang, L.3
Wilkie, D.4
McNabola, A.5
Rong, H.6
Chen, C.7
Zhang, X.8
Vincent, P.9
McHugh, M.10
Cao, Y.11
Shujath, J.12
Gawlak, S.13
Eveleigh, D.14
Rowley, B.15
Liu, L.16
Adnane, L.17
Lynch, M.18
Auclair, D.19
Taylor, I.20
Gedrich, R.21
Voznesensky, A.22
Riedl, B.23
Post, L.E.24
Bollag, G.25
Trail, P.A.26
more..
-
109
-
-
34347393442
-
Structural genomics: Keeping up with expanding knowledge of the protein universe
-
Grabowski, M.; Joachimiak, A.; Otwinowski, Z.; Minor, W. Structural genomics: keeping up with expanding knowledge of the protein universe Curr. Opin. Struct. Biol. 2007, 17 (3) 347-353
-
(2007)
Curr. Opin. Struct. Biol.
, vol.17
, Issue.3
, pp. 347-353
-
-
Grabowski, M.1
Joachimiak, A.2
Otwinowski, Z.3
Minor, W.4
-
110
-
-
40949151046
-
Doing more than just the structure-structural genomics in kinase drug discovery
-
Marsden, B. D.; Knapp, S. Doing more than just the structure-structural genomics in kinase drug discovery Curr. Opin. Chem. Biol. 2008, 12 (1) 40-45
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, Issue.1
, pp. 40-45
-
-
Marsden, B.D.1
Knapp, S.2
-
111
-
-
1842431419
-
High-throughput structural biology in drug discovery: Protein kinases
-
Stout, T. J.; Foster, P. G.; Matthews, D. J. High-throughput structural biology in drug discovery: protein kinases Curr. Pharm. Des. 2004, 10 (10) 1069-1082
-
(2004)
Curr. Pharm. Des.
, vol.10
, Issue.10
, pp. 1069-1082
-
-
Stout, T.J.1
Foster, P.G.2
Matthews, D.J.3
-
112
-
-
0002738154
-
An application of the molecular replacement technique in direct space to a known protein structure
-
Argos, P.; Ford, G. C.; Rossmann, M. G. An application of the molecular replacement technique in direct space to a known protein structure Acta Crystallogr. 1975, A31, 499-506
-
(1975)
Acta Crystallogr.
, vol.31
, pp. 499-506
-
-
Argos, P.1
Ford, G.C.2
Rossmann, M.G.3
-
113
-
-
0033178359
-
The development and therapeutic potential of protein kinase inhibitors
-
Cohen, P. The development and therapeutic potential of protein kinase inhibitors Curr. Opin. Chem. Biol. 1999, 3 (4) 459-465
-
(1999)
Curr. Opin. Chem. Biol.
, vol.3
, Issue.4
, pp. 459-465
-
-
Cohen, P.1
-
114
-
-
42449126713
-
Recent trends in library design: 'Rational design' revisited
-
Schnur, D. M. Recent trends in library design: 'rational design' revisited Curr. Opin. Drug Discovery Dev. 2008, 11 (3) 375-380
-
(2008)
Curr. Opin. Drug Discovery Dev.
, vol.11
, Issue.3
, pp. 375-380
-
-
Schnur, D.M.1
-
115
-
-
33746138150
-
A kinase-focused compound collection: Compilation and screening strategy
-
Sun, D.; Chuaqui, C.; Deng, Z.; Bowes, S.; Chin, D.; Singh, J.; Cullen, P.; Hankins, G.; Lee, W. C.; Donnelly, J.; Friedman, J.; Josiah, S. A kinase-focused compound collection: compilation and screening strategy Chem. Biol. Drug Des. 2006, 67 (6) 385-394
-
(2006)
Chem. Biol. Drug Des.
, vol.67
, Issue.6
, pp. 385-394
-
-
Sun, D.1
Chuaqui, C.2
Deng, Z.3
Bowes, S.4
Chin, D.5
Singh, J.6
Cullen, P.7
Hankins, G.8
Lee, W.C.9
Donnelly, J.10
Friedman, J.11
Josiah, S.12
-
116
-
-
44949229188
-
Development and experimental validation of a docking strategy for the generation of kinase-targeted libraries
-
Gozalbes, R.; Simon, L.; Froloff, N.; Sartori, E.; Monteils, C.; Baudelle, R. Development and experimental validation of a docking strategy for the generation of kinase-targeted libraries J. Med. Chem. 2008, 51 (11) 3124-3132
-
(2008)
J. Med. Chem.
, vol.51
, Issue.11
, pp. 3124-3132
-
-
Gozalbes, R.1
Simon, L.2
Froloff, N.3
Sartori, E.4
Monteils, C.5
Baudelle, R.6
-
117
-
-
1642378145
-
Virtual screening for kinase targets
-
Muegge, I.; Enyedy, I. J. Virtual screening for kinase targets Curr. Med. Chem. 2004, 11 (6) 693-707
-
(2004)
Curr. Med. Chem.
, vol.11
, Issue.6
, pp. 693-707
-
-
Muegge, I.1
Enyedy, I.J.2
-
118
-
-
2542631937
-
Virtual screening for inhibitors of human aldose reductase
-
Kraemer, O.; Hazemann, I.; Podjarny, A. D.; Klebe, G. Virtual screening for inhibitors of human aldose reductase Proteins 2004, 55 (4) 814-823
-
(2004)
Proteins
, vol.55
, Issue.4
, pp. 814-823
-
-
Kraemer, O.1
Hazemann, I.2
Podjarny, A.D.3
Klebe, G.4
-
119
-
-
0037103119
-
Successful virtual screening for novel inhibitors of human carbonic anhydrase: Strategy and experimental confirmation
-
Gruneberg, S.; Stubbs, M. T.; Klebe, G. Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation J. Med. Chem. 2002, 45 (17) 3588-3602
-
(2002)
J. Med. Chem.
, vol.45
, Issue.17
, pp. 3588-3602
-
-
Gruneberg, S.1
Stubbs, M.T.2
Klebe, G.3
|