PDB: 306 件ウェブページステータス検索Chemie searchBIRD

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4EOO	Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
1H1P	Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 分子名称: 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. 登録日 2002-07-21 公開日 2002-09-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
4F6U	Crystal structure of human CDK8/CYCC in complex with compound 5 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea) 分子名称: 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea, Cyclin-C, ... 著者 Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. 登録日 2012-05-15 公開日 2013-05-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-kinetic relationship study of CDK8/CycC specific compounds. Proc.Natl.Acad.Sci.USA, 110, 2013
3MI9	Crystal structure of HIV-1 Tat complexed with human P-TEFb 分子名称: Cell division protein kinase 9, Cyclin-T1, Protein Tat, ... 著者 Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H. 登録日 2010-04-09 公開日 2010-06-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of HIV-1 Tat complexed with human P-TEFb. Nature, 465, 2010
3BHV	Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B 分子名称: 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ... 著者 Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. 登録日 2007-11-29 公開日 2008-02-12 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
3MY5	CDk2/cyclinA in complex with DRB 分子名称: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 2, Cyclin-A2, ... 著者 Baumli, S, Johnson, L.N. 登録日 2010-05-09 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
4BCN	Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor 分子名称: 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... 著者 Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. 登録日 2012-10-02 公開日 2013-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
1OI9	Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor 分子名称: 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... 著者 Pratt, D.J, Endicott, J.A, Noble, M.E.M. 登録日 2003-06-10 公開日 2004-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
2C5N	Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design 分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE 著者 Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. 登録日 2005-10-30 公開日 2006-03-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
2C5O	Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design 分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. 登録日 2005-10-30 公開日 2006-03-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
6GVA	CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 分子名称: 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... 著者 Skerlova, J, Rezacova, P. 登録日 2018-06-20 公開日 2019-05-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J.Med.Chem., 62, 2019
4EOQ	Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
8PYR	Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex 分子名称: 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... 著者 Anand, K, Duster, R, Geyer, M. 登録日 2023-07-26 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural basis of Cdk7 activation by dual T-loop phosphorylation. Biorxiv, 2024
1W98	The structural basis of CDK2 activation by cyclin E 分子名称: CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1 著者 Lowe, E.D, Honda, R, Dubinina, E, Skamnaki, V, Cook, A, Johnson, L.N. 登録日 2004-10-07 公開日 2005-02-02 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles Embo J., 24, 2005
4II5	Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION 分子名称: ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. 登録日 2012-12-19 公開日 2013-01-23 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE J.Am.Chem.Soc., 134, 2012
3QHR	Structure of a pCDK2/CyclinA transition-state mimic 分子名称: ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, CHLORIDE ION, ... 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 (2.17 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
5ICP	CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone 分子名称: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... 著者 Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. 登録日 2016-02-23 公開日 2016-12-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
7KJS	Crystal structure of CDK2/cyclin E in complex with PF-06873600 分子名称: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 著者 McTigue, M.A, He, Y, Ferre, R.A. 登録日 2020-10-26 公開日 2021-06-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.187 Å) 主引用文献 Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J.Med.Chem., 64, 2021
6Y0A	CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH BI00690300 分子名称: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... 著者 Bader, G, Boettcher, J. 登録日 2020-02-07 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Human Cyclin-Dependent Kinase8/Cyclinc In Complex With Ligand 30180596 To Be Published
6R3S	CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 分子名称: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... 著者 Boettcher, J. 登録日 2019-03-21 公開日 2020-04-08 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
1QMZ	PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, G2/MITOTIC-SPECIFIC CYCLIN A, ... 著者 Brown, N.R, Noble, M.E.M, Endicott, J.A, Johnson, L.N. 登録日 1999-10-11 公開日 1999-12-14 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Structural Basis for Specificity of Substrate and Recruitment Peptides for Cyclin-Dependent Kinases Nat.Cell Biol., 1, 1999
6RIJ	CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 分子名称: 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Skerlova, J, Rezacova, P, Brynda, J. 登録日 2019-04-24 公開日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 To Be Published
8P74	Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-up conformation) 分子名称: (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... 著者 Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. 登録日 2023-05-30 公開日 2024-03-20 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (2.2 Å) 主引用文献 High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
4EOR	Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 分子名称: Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
3RGF	Crystal Structure of human CDK8/CycC 分子名称: 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ... 著者 Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K. 登録日 2011-04-08 公開日 2011-08-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder. J.Mol.Biol., 412, 2011

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