PDB: 957 件ウェブページステータス検索Chemie searchBIRD

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3QUE	Human p38 MAP Kinase in Complex with Skepinone-L 分子名称: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. 登録日 2011-02-23 公開日 2012-01-18 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat.Chem.Biol., 8, 2012
4EH6	Human p38 MAP kinase in complex with NP-F5 and RL87 分子名称: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, 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
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
4O91	Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide 著者 Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D. 登録日 2013-12-31 公開日 2014-07-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.393 Å) 主引用文献 Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2). J.Med.Chem., 58, 2015
4EH7	Human p38 MAP kinase in complex with NP-F6 and RL87 分子名称: (3-phenoxyphenyl)methanol, 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
4H39	Crystal Structure of JNK3 in Complex with JIP1 Peptide 分子名称: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10 著者 Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V. 登録日 2012-09-13 公開日 2012-11-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.992 Å) 主引用文献 Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure, 20, 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
3TG1	Crystal structure of p38alpha in complex with a MAPK docking partner 分子名称: Dual specificity protein phosphatase 10, Mitogen-activated protein kinase 14 著者 Zhang, Y.Y, Wu, J.W, Wang, Z.X. 登録日 2011-08-17 公開日 2012-03-14 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 A Distinct Interaction Mode Revealed by the Crystal Structure of the Kinase p38alpha with the MAPK Binding Domain of the Phosphatase MKP5. Sci.Signal., 4, 2011
4EH5	Human p38 MAP kinase in complex with NP-F4 and RL87 分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate 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
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
3TTI	Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor 分子名称: GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol 著者 Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. 登録日 2011-09-14 公開日 2012-02-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 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
3PTG	Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor 分子名称: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide 著者 Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. 登録日 2010-12-02 公開日 2011-03-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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
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
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
4TYH	Ternary complex of P38 and MK2 with a P38 inhibitor 分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 著者 Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. 登録日 2014-07-08 公開日 2015-07-22 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors To Be Published
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
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
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
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
3TTJ	Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury 分子名称: 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 著者 Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. 登録日 2011-09-14 公開日 2012-01-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012

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