PDB: 4939 件ウェブページステータス検索Chemie searchBIRD

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2X7O	Crystal structure of TGFbRI complexed with an indolinone inhibitor 分子名称: (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I 著者 Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. 登録日 2010-03-03 公開日 2010-10-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri) J.Med.Chem., 53, 2010
2WZJ	Catalytic and UBA domain of kinase MARK2/(Par-1) K82R, T208E double mutant 分子名称: SERINE/THREONINE-PROTEIN KINASE MARK2 著者 Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E. 登録日 2009-11-30 公開日 2009-12-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.786 Å) 主引用文献 Structure and Function of Polarity-Inducing Kinase Family Mark/Par-1 within the Branch of Ampk/Snf1-Related Kinases. Faseb J., 24, 2010
2X0G	X-RAY STRUCTURE OF A DAP-KINASE CALMODULIN COMPLEX 分子名称: CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1, ... 著者 Kuper, J, De Diego, I, Lehmann, F, Wilmanns, M. 登録日 2009-12-08 公開日 2010-01-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular Basis of the Death-Associated Protein Kinase-Calcium/Calmodulin Regulator Complex. Sci.Signal, 3, 2010
2V22	REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE 著者 Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. 登録日 2007-05-31 公開日 2008-01-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors Chembiochem, 7, 2006
2VGO	Crystal structure of Aurora B kinase in complex with Reversine inhibitor 分子名称: INNER CENTROMERE PROTEIN A, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, SERINE/THREONINE-PROTEIN KINASE 12-A 著者 D'Alise, A.M, Amabile, G, Iovino, M, Di Giorgio, F.P, Bartiromo, M, Sessa, F, Villa, F, Musacchio, A, Cortese, R. 登録日 2007-11-15 公開日 2008-10-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Reversine, a Novel Aurora Kinases Inhibitor, Inhibits Colony Formation of Human Acute Myeloid Leukemia Cells. Mol.Cancer Ther., 7, 2008
2X1N	Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design 分子名称: 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... 著者 Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. 登録日 2009-12-31 公開日 2010-02-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors. J.Med.Chem., 53, 2010
2WIP	STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID 分子名称: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... 著者 Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. 登録日 2009-05-14 公開日 2009-07-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
3EID	CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor 分子名称: (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2 著者 Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. 登録日 2008-09-15 公開日 2008-10-21 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
2XH5	Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB 分子名称: 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE 著者 Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. 登録日 2010-06-09 公開日 2010-06-16 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
3DDQ	Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine 分子名称: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ... 著者 Echalier, A, Endicott, J.A. 登録日 2008-06-06 公開日 2008-07-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene, 27, 2008
2Y4I	KSR2-MEK1 heterodimer 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... 著者 Brennan, D.F, Barford, D. 登録日 2011-01-06 公開日 2011-01-19 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.46 Å) 主引用文献 A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek Nature, 472, 2011
3DDP	Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8 分子名称: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2 著者 Echalier, A, Endicott, J.A. 登録日 2008-06-06 公開日 2008-07-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene, 27, 2008
3CQU	Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor 分子名称: Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase 著者 Pandit, J. 登録日 2008-04-03 公開日 2008-05-27 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
3HA6	Crystal structure of aurora A in complex with TPX2 and compound 10 分子名称: N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2 著者 Zhao, B, Clark, M.A. 登録日 2009-05-01 公開日 2009-08-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
3H9R	Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin 分子名称: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... 著者 Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) 登録日 2009-04-30 公開日 2009-06-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva. J.Biol.Chem., 287, 2012
3PVU	Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101) 分子名称: 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Thal, D.M, Tesmer, J.J. 登録日 2010-12-07 公開日 2011-06-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol.Pharmacol., 80, 2011
3QA8	Crystal Structure of inhibitor of kappa B kinase beta 分子名称: MGC80376 protein 著者 Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. 登録日 2011-01-10 公開日 2011-04-06 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Crystal structure of inhibitor of kappa B kinase beta. Nature, 472, 2011
3QKK	Spirochromane Akt Inhibitors 分子名称: GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase 著者 Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. 登録日 2011-02-01 公開日 2011-03-30 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3Q5I	Crystal Structure of PBANKA_031420 分子名称: CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Wernimont, A.K, Hutchinson, A, Sullivan, H, Panico, E, Crombet, L, Cossar, D, Hassani, A, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC) 登録日 2010-12-28 公開日 2011-06-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420 To be Published
3QHW	Structure of a pCDK2/CyclinA transition-state mimic 分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, ... 著者 Young, M.A, Jacobsen, D.M, Bao, Z.Q. 登録日 2011-01-26 公開日 2011-05-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis. Structure, 19, 2011
3QKM	Spirocyclic sulfonamides as AKT inhibitors 分子名称: N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase 著者 Xu, R, Banka, A, Blake, J.F, Mitchell, I.S, Wallace, E.M, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. 登録日 2011-02-01 公開日 2011-04-06 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA. Bioorg.Med.Chem.Lett., 21, 2011
3SOA	Full-length human CaMKII 分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Calcium/calmodulin-dependent protein kinase type II subunit alpha with a beta 7 linker 著者 Chao, L.H, Kuriyan, J. 登録日 2011-06-30 公開日 2011-08-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.5501 Å) 主引用文献 A Mechanism for Tunable Autoinhibition in the Structure of a Human Ca(2+)/Calmodulin- Dependent Kinase II Holoenzyme. Cell(Cambridge,Mass.), 146, 2011
3SXF	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89 分子名称: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... 著者 Larson, E.T, Merritt, E.A. 登録日 2011-07-14 公開日 2012-03-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
3RZF	Crystal Structure of Inhibitor of kappaB kinase beta (I4122) 分子名称: (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone, MGC80376 protein 著者 Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. 登録日 2011-05-11 公開日 2011-05-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 Crystal structure of inhibitor of KappaB kinase Beta. Nature, 472, 2011
3SDJ	Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1 分子名称: N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1 著者 Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P. 登録日 2011-06-09 公開日 2011-07-13 実験手法 X-RAY DIFFRACTION (3.65 Å) 主引用文献 Structural and functional basis for RNA cleavage by Ire1. Bmc Biol., 9, 2011

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