-
1
-
-
0029020282
-
The eukaryotic protein kinase super-family: Kinase (catalytic) domain structure and classification
-
(1995)
FASEB J.
, vol.9
, pp. 576-596
-
-
Hanks, S.K.1
Hunter, T.2
-
4
-
-
0026345394
-
Protein kinase catalytic domain sequence database: Identification of conserved features of primary structure and classification of family members
-
(1991)
Methods Enzymol.
, vol.200
, pp. 38-62
-
-
Hanks, S.K.1
Quinn, A.M.2
-
17
-
-
0034651543
-
When fold is not important: A common structural framework for adenine and AMP binding in 12 unrelated protein families
-
(2000)
Proteins
, vol.38
, pp. 310-326
-
-
Denessiouk, K.A.1
Johnson, M.S.2
-
21
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
(1985)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
23
-
-
0027439587
-
Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds
-
(1993)
J. Med. Chem.
, vol.36
, pp. 140-147
-
-
Wade, R.C.1
Clerk, K.J.2
Goodford, P.J.3
-
24
-
-
0027510004
-
Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds
-
(1993)
J. Med. Chem.
, vol.36
, pp. 148-156
-
-
Wade, R.C.1
Goodford, P.J.2
-
25
-
-
0003609445
-
-
Molecular Discovery Ltd., West Way House: Elms Parade, Oxford, U.K.
-
(2000)
GRID, version 18
-
-
-
30
-
-
0002194587
-
Multivariate data analysis in chemistry
-
Kowalski, B. R., Ed.; NATO, ISI Series C 138; D. Reidel. Publishing Co.: Dordrecht, Holland
-
(1984)
Chemometrics: Mathematics and Statistics in Chemistry
, pp. 17-96
-
-
Wold, S.1
Albano, C.2
Dunn W.J. III3
Edlund, U.4
Esbensen, K.5
Geladi, P.6
Hellberg, S.7
Johanson, E.8
Lindberg, W.9
Sjöström, M.10
-
35
-
-
0033524009
-
Affinity and selectivity of metrix metalloproteinase inhibitors: A chemometrical study from the perspective of ligands and proteins
-
(1999)
J. Med. Chem.
, vol.42
, pp. 4506-4523
-
-
Matter, H.1
Schwab, W.2
-
38
-
-
0033150476
-
Synthesis and application of functionally diverse 2,6,9-trisubstituted purine libraries as CDK inhibitors
-
(1999)
Chem. Biol.
, vol.6
, pp. 361-375
-
-
Chang, Y.-T.1
Gray, N.S.2
Rosania, G.R.3
Sutherlin, D.P.4
Kwon, S.5
Norman, T.C.6
Sarohia, R.7
Leost, M.8
Meijer, L.9
Schultz, P.G.10
-
40
-
-
0032563315
-
Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors
-
(1998)
Science
, vol.281
, pp. 533-538
-
-
Gray, N.S.1
Wodicka, L.2
Thunnissen, A.M.W.H.3
Norman, T.C.4
Kwon, S.J.5
Espinoza, F.H.6
Morgan, D.O.7
Barnes, G.8
LeClerc, S.9
Meijer, L.10
Kim, S.H.11
Lockhart, D.J.12
Schultz, P.G.13
-
46
-
-
0037920567
-
Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa
-
(1999)
J. Med. Chem.
, vol.42
, pp. 458-477
-
-
Böhm, M.1
Stürzebecher, J.2
Klebe, G.3
-
49
-
-
85152373811
-
Notes on the history and nature of partial least squares (PLS) modelling
-
(1988)
J. Chemom.
, vol.2
, pp. 231-246
-
-
Geladi, P.1
-
50
-
-
84951601886
-
Cross-validatory estimation of the number of component in factor and principal component models
-
(1978)
Technometrics
, vol.4
, pp. 397-405
-
-
Wold, S.1
-
54
-
-
11944251068
-
Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 4710-4723
-
-
Halgren, T.1
-
56
-
-
0009418786
-
-
-
-
-
57
-
-
0033954256
-
The protein data bank
-
(2000)
Nucleic Acids Res.
, vol.28
, 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
-
58
-
-
0024287213
-
Knowledge-based protein modeling and design
-
(1988)
Eur. J. Biochem.
, vol.172
, pp. 513-520
-
-
Blundell, T.L.1
Carney, D.P.2
Gardner, S.3
Hayes, F.R.F.4
Howlin, B.5
Hubbard, T.J.P.6
Overington, J.P.7
Singh, D.A.8
Sibanda, B.L.9
Sutcliffe, M.J.10
-
61
-
-
0000127673
-
2.2 Å refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with manganese ATP and a peptide inhibitor
-
(1993)
Acta Crystallogr., Sect. D: Biol. Crystallogr.
, vol.D49
, pp. 362-365
-
-
Zheng, J.1
Trafny, E.A.2
Knighton, D.R.3
Nguyen, H.X.4
Taylor, S.S.5
Ten Eyck, L.F.6
Sowadski, J.M.7
-
62
-
-
0027666524
-
Crystal structures of the catalytic subunit of cAMP-dependent protein kinase reveal general features of the protein kinase family
-
(1993)
Receptor
, vol.3
, pp. 165-172
-
-
Taylor, S.S.1
Radzio-Andzelm, E.2
Knighton, D.R.3
Ten Eyck, L.F.4
Sowadski, J.M.5
Herberg, F.W.6
Yonemoto, W.7
Zheng, J.8
-
67
-
-
0003102794
-
Recommendations for CoMFA studies and 3D QSAR publications
-
Kubinyi, H., Ed.; ESCOM: Leiden, The Netherlands
-
(1993)
3D QSAR in Drug Design. Theory, Methods and Applications
, pp. 711-717
-
-
Thibaut, U.1
Folkers, G.2
Klebe, G.3
Kubinyi, H.4
Merz, A.5
Rognan, D.6
-
73
-
-
0009309777
-
-
note
-
-
-
-
74
-
-
0034721195
-
Identification of novel purine and pyrimidine cyclin-dependent kinase inhibitors with distinct molecular interactions and tumor cell growth inhibition profiles
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2797-2804
-
-
Arris, C.E.1
Boyle, F.T.2
Calvert, A.H.3
Curtin, N.J.4
Endicott, J.A.5
Garman, E.F.6
Gibson, A.E.7
Golding, B.T.8
Grant, S.9
Griffin, R.J.10
Jewsbury, P.11
Johnson, L.N.12
Lawrie, A.M.13
Newell, D.R.14
Noble, M.E.M.15
Sausville, E.A.16
Schultz, R.17
Yu, W.18
-
75
-
-
0028093182
-
Inhibition of cyclin-dependent kinases by purine analogues
-
(1994)
Eur. J. Biochem.
, vol.224
, pp. 771-786
-
-
Vesely, J.1
Havlicek, L.2
Strnad, M.3
Blow, J.J.4
Donella-Deana, A.5
Pinna, L.6
Letham, D.S.7
Kato, J.-Y.8
Detivaud, L.9
Leclerc, S.10
Meijer, L.11
-
76
-
-
0031037714
-
Biochemical and cellular effects ofroscovitine, a potent and selective inhibitor of cyclin-dependent kinases cdc2, cdk2 and cdk5
-
(1997)
Eur. J. Biochem.
, vol.243
, pp. 527-536
-
-
Meijer, L.1
Borgne, A.2
Mulner, O.3
Chong, J.P.J.4
Blow, J.J.5
Inagaki, N.6
Inagaki, M.7
Deleros, J.-L.8
Moulinoux, J.-P.9
-
77
-
-
15444355744
-
CVT-313, a specific and potent inhibitor of CDK2 that prevents neointimal proliferation
-
(1997)
J. Biol. Chem.
, vol.272
, pp. 29207-29211
-
-
Brooks, E.E.1
Gray, N.S.2
Joly, A.3
Kerwar, S.S.4
Lum, R.5
Mackman, R.L.6
Norma, T.C.7
Rosete, J.8
Rowe, M.9
Schow, S.R.10
Schultz, P.G.11
Wang, X.12
Wick, M.M.13
Schiffman, D.14
-
78
-
-
0030869845
-
Synthesis and activity of 2,6,9-trisubstituted purines
-
(1997)
Bioorg. Med. Chem. Lett.
, vol.7
, pp. 2697-2702
-
-
Schow, S.R.1
Mackman, R.L.2
Blum, C.L.3
Brooks, E.4
Horsma, A.G.5
Joly, A.6
Kerwar, S.S.7
Lee, G.8
Schiffman, D.9
Nelson, M.G.10
Wang, X.11
Wick, M.M.12
Zhang, X.13
Lum, R.T.14
-
80
-
-
0032918488
-
2,6,9-Trisubstituted purines: Optimization toward highly potent and selective CDK1 inhibitors
-
(1999)
Bioorg. Med. Chem. Lett.
, vol.9
, pp. 91-96
-
-
Imbach, P.1
Capraro, H.-G.2
Furet, P.3
Mett, H.4
Meyer, T.5
Zimmermann, J.6
-
81
-
-
0029090514
-
Multiple modes of ligand recognition: Crystal structure of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine
-
(1995)
Proteins
, vol.22
, pp. 378-391
-
-
Schulze-Gahmen, U.1
Brandsen, J.2
Jones, H.D.3
Morgan, D.O.4
Meijer, L.5
Vesely, J.6
Kim, S.-H.7
-
83
-
-
0009409007
-
-
note
-
-
-
|