PDB: 4802 件ウェブページステータス検索Chemie searchBIRD

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1UU3	Structure of human PDK1 kinase domain in complex with LY333531 分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... 著者 Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. 登録日 2003-12-15 公開日 2004-03-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
1UU8	Structure of human PDK1 kinase domain in complex with BIM-1 分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... 著者 Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. 登録日 2003-12-16 公開日 2004-03-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
1UU7	Structure of human PDK1 kinase domain in complex with BIM-2 分子名称: 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... 著者 Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. 登録日 2003-12-16 公開日 2004-03-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
1UU9	Structure of human PDK1 kinase domain in complex with BIM-3 分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... 著者 Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. 登録日 2003-12-16 公開日 2004-03-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
1RW8	Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor 分子名称: 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE, TGF-beta receptor type I 著者 Zhang, F, Sawyer, J.S. 登録日 2003-12-16 公開日 2005-02-01 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain. Bioorg.Med.Chem.Lett., 14, 2004
1UV5	GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME 分子名称: 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ... 著者 Dajani, R, Pearl, L.H, Roe, S.M. 登録日 2004-01-14 公開日 2004-01-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins Chem.Biol., 10, 2003
1UVR	Structure of human PDK1 kinase domain in complex with BIM-8 分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... 著者 Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. 登録日 2004-01-22 公開日 2004-03-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
1S9I	X-ray structure of the human mitogen-activated protein kinase kinase 2 (MEK2)in a complex with ligand and MgATP 分子名称: 5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 2, ... 著者 Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. 登録日 2004-02-04 公開日 2004-11-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
1S9J	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 分子名称: 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... 著者 Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. 登録日 2004-02-04 公開日 2004-11-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
1SMH	Protein kinase A variant complex with completely ordered N-terminal helix 分子名称: (R,R)-2,3-BUTANEDIOL, N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-Dependent Protein Kinase, ... 著者 Breitenlechner, C, Engh, R.A, Huber, R, Kinzel, V, Bossemeyer, D, Gassel, M. 登録日 2004-03-09 公開日 2004-07-06 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (2.044 Å) 主引用文献 The Typically Disordered N-Terminus of PKA Can Fold as a Helix and Project the Myristoylation Site into Solution Biochemistry, 43, 2004
1V0B	Crystal structure of the t198a mutant of pfpk5 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-03-26 公開日 2004-03-31 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1SVG	Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 分子名称: CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ... 著者 Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-03-29 公開日 2005-03-29 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
1SVE	Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 分子名称: (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ... 著者 Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-03-29 公開日 2005-03-29 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
1SVH	Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 分子名称: (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-03-29 公開日 2005-03-29 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
1VEB	Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 分子名称: (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-03-29 公開日 2005-03-29 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004
1V0O	Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex 分子名称: 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-03-31 公開日 2004-04-07 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1SYK	Crystal structure of E230Q mutant of cAMP-dependent protein kinase reveals unexpected apoenzyme conformation 分子名称: cAMP-dependent protein kinase, alpha-catalytic subunit 著者 Wu, J, Yang, J, Madhusudan, N, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S. 登録日 2004-04-01 公開日 2005-05-17 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of the E230Q mutant of cAMP-dependent protein kinase reveals an unexpected apoenzyme conformation and an extended N-terminal A helix. Protein Sci., 14, 2005
1V0P	Structure of P. falciparum PfPK5-Purvalanol B ligand complex 分子名称: CELL DIVISION CONTROL PROTEIN 2 HOMOLOG, PURVALANOL B 著者 Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. 登録日 2004-04-01 公開日 2004-05-06 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition Structure, 11, 2003
1SZM	DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) 分子名称: 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, cAMP-dependent protein kinase, alpha-catalytic subunit 著者 Gassel, M, Breitenlechner, C.B, Koenig, N, Huber, R, Engh, R.A, Bossemeyer, D. 登録日 2004-04-06 公開日 2004-06-01 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase a. J.Biol.Chem., 279, 2004
1VJY	Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor 分子名称: 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I 著者 Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D. 登録日 2004-04-07 公開日 2004-08-31 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors. J.Med.Chem., 47, 2004
1V1K	CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR 分子名称: (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 著者 Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. 登録日 2004-04-16 公開日 2004-05-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
1VYZ	Structure of CDK2 complexed with PNU-181227 分子名称: CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE 著者 Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. 登録日 2004-05-07 公開日 2004-06-17 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding J.Med.Chem., 47, 2004
1VYW	Structure of CDK2/Cyclin A with PNU-292137 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ... 著者 Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. 登録日 2004-05-07 公開日 2004-06-10 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding J.Med.Chem., 47, 2004
1VZO	The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein 分子名称: BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION 著者 Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. 登録日 2004-05-21 公開日 2004-06-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein Structure, 12, 2004
1W0X	Crystal structure of human CDK2 in complex with the inhibitor olomoucine. 分子名称: CYCLIN-DEPENDENT KINASE 2, OLOMOUCINE 著者 Schulze-Gahmen, U, Meijer, L, Kim, S.-H. 登録日 2004-06-14 公開日 2005-01-14 最終更新日 2014-02-05 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Multiple Modes of Ligand Recognition: Crystal Structures of Cyclin-Dependent Protein Kinase 2 in Complex with ATP and Two Inhibitors, Olomoucine and Isopentenyladenine. Proteins, 22, 1995

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