PDB: 66478 件ウェブページステータス検索Chemie searchBIRD

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4EH2	Human p38 MAP kinase in complex with NP-F1 and RL87 分子名称: 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4EWQ	Human p38 alpha MAPK in complex with a pyridazine based inhibitor 分子名称: 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... 著者 Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2012-04-27 公開日 2012-06-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
4E6C	p38a-perifosine Complex 分子名称: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate, Mitogen-activated protein kinase 14 著者 Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. 登録日 2012-03-15 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
4E8A	The crystal structure of p38a MAP kinase in complex with PIA24 分子名称: (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 著者 Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. 登録日 2012-03-20 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
4EH9	Human p38 MAP kinase in complex with NP-F11 and RL87 分子名称: (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4E5A	The W197A mutant of p38a MAP kinase 分子名称: Mitogen-activated protein kinase 14 著者 Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. 登録日 2012-03-14 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
4DLI	Human p38 MAP kinase in complex with RL87 分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine 著者 Gruetter, C, Getlik, M, Simard, J.R, Rauh, D. 登録日 2012-02-06 公開日 2013-01-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
4DLJ	Human p38 MAP kinase in complex with RL163 分子名称: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 著者 Gruetter, C, Termathe, M. 登録日 2012-02-06 公開日 2013-01-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012
4EHV	Human p38 MAP kinase in complex with NP-F10 and RL87 分子名称: (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-04 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4EH4	Human p38 MAP kinase in complex with NP-F3 and RL87 分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4EH8	Human p38 MAP kinase in complex with NP-F7 and RL87 分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4F9Y	Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor 分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... 著者 Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. 登録日 2012-05-21 公開日 2013-06-05 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
4F9W	Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor 分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ... 著者 Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. 登録日 2012-05-21 公開日 2013-06-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
4FA2	Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 分子名称: 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... 著者 Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. 登録日 2012-05-21 公開日 2013-06-05 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
3UEI	Crystal structure of human Survivin E65A mutant 分子名称: Baculoviral IAP repeat-containing protein 5, ZINC ION 著者 Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. 登録日 2011-10-30 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol Biol Cell, 23, 2012
3UEF	Crystal structure of human Survivin bound to histone H3 (C2 space group). 分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ... 著者 Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. 登録日 2011-10-30 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol.Biol.Cell, 23, 2012
5HVN	3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD. 分子名称: 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Zhou, M, Grimshaw, S, Kwon, K, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2016-01-28 公開日 2016-02-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 3.0 Angstrom Crystal Structure of 3-dehydroquinate Synthase (AroB) from Francisella tularensis in Complex with NAD. To Be Published
3RIN	p38 kinase crystal structure in complex with small molecule inhibitor 分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide 著者 Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. 登録日 2011-04-14 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode. Bioorg.Med.Chem.Lett., 21, 2011
5I82	First Crystal Structure of E.coli Based Recombinant Diphtheria Toxin Mutant CRM197 分子名称: Diphtheria toxin, GLYCEROL, SULFATE ION 著者 Minasov, G, Shuvalova, L, Mishra, R.P.N, Goel, A, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2016-02-18 公開日 2016-03-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural and immunological characterization of E. coli derived recombinant CRM 197 protein used as carrier in conjugate vaccines. Biosci.Rep., 38, 2018
3V09	Crystal structure of Rabbit Serum Albumin 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) 登録日 2011-12-07 公開日 2012-01-18 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural and immunologic characterization of bovine, horse, and rabbit serum albumins. Mol.Immunol., 52, 2012
3UED	Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3 (C2 space group). 分子名称: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION 著者 Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. 登録日 2011-10-30 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol.Biol.Cell, 23, 2012
3S3I	p38 kinase crystal structure in complex with small molecule inhibitor 分子名称: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 著者 Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. 登録日 2011-05-18 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
3UEH	Crystal structure of human Survivin H80A mutant 分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ... 著者 Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. 登録日 2011-10-30 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol Biol Cell, 23, 2012
4AA5	P38ALPHA MAP KINASE BOUND TO CMPD 33 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE 著者 Gerhardt, S, Hargreaves, D. 登録日 2011-11-30 公開日 2012-05-16 最終更新日 2019-02-06 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
3UEE	Crystal structure of human Survivin K62A mutant bound to N-terminal histone H3 分子名称: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION 著者 Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. 登録日 2011-10-30 公開日 2012-03-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol.Biol.Cell, 23, 2012

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