PDB: 95574 件ウェブページステータス検索Chemie searchBIRD

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2XXX	Crystal structure of the GluK2 (GluR6) D776K LBD dimer in complex with glutamate (P21 21 21) 分子名称: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID 著者 Nayeem, N, Mayans, O, Green, T. 登録日 2010-11-12 公開日 2011-02-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.098 Å) 主引用文献 Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
2XHU	HCV-J4 NS5B Polymerase Orthorhombic Crystal Form 分子名称: RNA-directed RNA polymerase, SULFATE ION 著者 Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. 登録日 2010-06-21 公開日 2010-08-04 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.287 Å) 主引用文献 Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
2XHV	HCV-J4 NS5B Polymerase Point Mutant Orthorhombic Crystal Form 分子名称: MAGNESIUM ION, RNA-directed RNA polymerase, SULFATE ION 著者 Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. 登録日 2010-06-21 公開日 2010-08-04 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
2XI2	HCV-H77 NS5B Apo Polymerase 分子名称: RNA-directed RNA polymerase, SULFATE ION 著者 Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. 登録日 2010-06-25 公開日 2010-08-04 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
4BCO	Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor 分子名称: 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]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 2013-01-09 最終更新日 2013-02-27 実験手法 X-RAY DIFFRACTION (2.05 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
2XXR	Crystal structure of the GluK2 (GluR6) wild-type LBD dimer in complex with glutamate 分子名称: CHLORIDE ION, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ... 著者 Nayeem, N, Mayans, O, Green, T. 登録日 2010-11-11 公開日 2011-02-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
2XXT	Crystal structure of the GluK2 (GluR6) wild-type LBD dimer in complex with kainate 分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... 著者 Nayeem, N, Mayans, O, Green, T. 登録日 2010-11-12 公開日 2011-02-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
4BCM	Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor 分子名称: 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-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 2013-03-06 実験手法 X-RAY DIFFRACTION (2.45 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
4BCP	Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor 分子名称: 2-[[3-(1,4-diazepan-1-yl)phenyl]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 2013-04-17 最終更新日 2013-08-07 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
4BCK	Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor 分子名称: 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, 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 (2.052 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
2XXV	Crystal structure of the GluK2 (GluR6) M770K LBD dimer in complex with kainate 分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... 著者 Nayeem, N, Mayans, O, Green, T. 登録日 2010-11-12 公開日 2011-02-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
2XXW	Crystal structure of the GluK2 (GluR6) D776K LBD dimer in complex with glutamate 分子名称: CHLORIDE ION, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ... 著者 Nayeem, N, Mayans, O, Green, T. 登録日 2010-11-12 公開日 2011-02-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
2AWZ	Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5h) 分子名称: 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION 著者 Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. 登録日 2005-09-02 公開日 2006-01-24 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
2AX1	Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5ee) 分子名称: 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION 著者 Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. 登録日 2005-09-02 公開日 2006-01-24 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
2QRE	Crystal structure of the adenylate sensor from AMP-activated protein kinase in complex with 5-aminoimidazole-4-carboxamide 1-beta-D-ribofuranotide (ZMP) 分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Protein C1556.08c, SNF1-like protein kinase ssp2, ... 著者 Jin, X, Townley, R, Shapiro, L. 登録日 2007-07-28 公開日 2007-10-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Structural Insight into AMPK Regulation: ADP Comes into Play. Structure, 15, 2007
2AX0	Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5x) 分子名称: 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION 著者 Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. 登録日 2005-09-02 公開日 2006-01-24 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
1WRL	Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine (monoclinic crystal form) 分子名称: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, Troponin C, ... 著者 Takeda, S, Igarashi, T, Oishi, Y, Mori, H. 登録日 2004-10-20 公開日 2006-01-24 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine To be Published
3IFX	Crystal structure of the Spin-labeled KcsA mutant V48R1 分子名称: POTASSIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, TETRABUTYLAMMONIUM ION, ... 著者 Cieslak, J.A, Focia, P.J, Gross, A. 登録日 2009-07-26 公開日 2010-02-09 最終更新日 2023-09-06 実験手法 EPR (3.56 Å), X-RAY DIFFRACTION 主引用文献 Electron Spin-Echo Envelope Modulation (ESEEM) Reveals Water and Phosphate Interactions with the KcsA Potassium Channel Biochemistry, 49, 2010
3JWS	Structure of neuronal nitric oxide synthase R349A mutant heme domain complexed with N1-[(3' S,4'S)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
3JX2	Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
3JWV	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
3JX3	Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
3JWY	Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
1YR7	PAB0955 crystal structure : a GTPase in GTP-gamma-S bound form from Pyrococcus abyssi 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ATP(GTP)binding protein 著者 Gras, S, Carpentier, P, Armengaud, J, Housset, D. 登録日 2005-02-03 公開日 2006-02-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural insights into a new homodimeric self-activated GTPase family. Embo Rep., 8, 2007
3JWZ	Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3' S,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010

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