PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

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2R3R	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor 分子名称: 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 著者 Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. 登録日 2007-08-29 公開日 2008-01-22 最終更新日 2021-07-28 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
4BCQ	Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor 分子名称: 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}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 2013-01-09 最終更新日 2013-02-27 実験手法 X-RAY DIFFRACTION (2.4 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
6Y4V	Crystal structure of p38 in complex with SR68 分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 著者 Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-02-23 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
3JBW	Cryo-electron microscopy structure of RAG Paired Complex (with NBD, no symmetry) 分子名称: 12-RSS signal end forward strand, 5'-D(P*GP*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3', Nicked 12-RSS intermediate reverse strand, ... 著者 Ru, H, Chambers, M.G, Fu, T.-M, Tong, A.B, Liao, M, Wu, H. 登録日 2015-10-21 公開日 2015-12-09 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (4.6 Å) 主引用文献 Molecular Mechanism of V(D)J Recombination from Synaptic RAG1-RAG2 Complex Structures. Cell(Cambridge,Mass.), 163, 2015
2ZE2	Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor 分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. 登録日 2007-12-05 公開日 2008-02-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
6YWS	The structure of the large subunit of the mitoribosome from Neurospora crassa 分子名称: 50S ribosomal protein L14, 50S ribosomal protein L17, 50S ribosomal protein L24, ... 著者 Amunts, A, Itoh, Y, Naschberger, A. 登録日 2020-04-30 公開日 2020-11-11 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.74 Å) 主引用文献 Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
5TBE	Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 分子名称: Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide 著者 Buehrmann, M, Rauh, D. 登録日 2016-09-12 公開日 2017-04-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
4CFN	Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... 著者 Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. 登録日 2013-11-19 公開日 2013-12-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
6YWY	The structure of the mitoribosome from Neurospora crassa with bound tRNA at the P-site 分子名称: 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ... 著者 Amunts, A, Itoh, Y, Naschberger, A. 登録日 2020-04-30 公開日 2020-11-11 実験手法 ELECTRON MICROSCOPY (3.05 Å) 主引用文献 Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi. Nat Commun, 11, 2020
2UUE	REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors 分子名称: 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ... 著者 Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. 登録日 2007-03-02 公開日 2007-03-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors Chembiochem, 7, 2006
6BPH	Crystal structure of the chromodomain of RBBP1 分子名称: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION 著者 Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2017-11-23 公開日 2017-12-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of chromo barrel domain of RBBP1. Biochem. Biophys. Res. Commun., 496, 2018
3HE0	The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio parahaemolyticus. 分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ... 著者 Cuff, M.E, Hendricks, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2009-05-07 公開日 2009-07-07 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio parahaemolyticus. TO BE PUBLISHED
6EU9	Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid 分子名称: RETINOIC ACID, Retinoic acid receptor 著者 Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. 登録日 2017-10-29 公開日 2018-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation. Sci Adv, 4, 2018
2R3J	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor 分子名称: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 著者 Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. 登録日 2007-08-29 公開日 2008-01-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
2R3H	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor 分子名称: 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2 著者 Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. 登録日 2007-08-29 公開日 2008-01-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
2R3L	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor 分子名称: 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine, Cell division protein kinase 2 著者 Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. 登録日 2007-08-29 公開日 2008-01-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
2UZB	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-04-27 公開日 2007-06-26 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
2UZD	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-04-27 公開日 2007-06-26 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
2UZE	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-04-27 公開日 2007-06-26 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
2UZN	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-04-30 公開日 2007-06-26 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
2UZO	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-04-30 公開日 2007-06-26 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
2UZL	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-04-30 公開日 2007-06-26 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
4CFV	Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. 分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... 著者 Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. 登録日 2013-11-19 公開日 2014-12-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
4CFM	Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. 分子名称: 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 著者 Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. 登録日 2013-11-18 公開日 2014-12-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
2V0D	Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor 分子名称: 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE, CELL DIVISION PROTEIN KINASE 2, CHLORIDE ION 著者 Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. 登録日 2007-05-14 公開日 2007-06-26 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007

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