PDB: 965 件ウェブページステータス検索Chemie searchBIRD

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3FMJ	P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine 分子名称: 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-22 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FMH	P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-22 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLZ	P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLY	P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLW	P38 kinase crystal structure in complex with pamapimod 分子名称: 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLS	P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-2-((R)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLQ	P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Knapp, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FLN	P38 kinase crystal structure in complex with R1487 分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Knapp, M. 登録日 2008-12-19 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3FL4	P38 kinase crystal structure in complex with RO5634 分子名称: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Knapp, M. 登録日 2008-12-18 公開日 2009-12-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3FKO	P38 kinase crystal structure in complex with RO3668 分子名称: 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Knapp, M. 登録日 2008-12-17 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3FKN	P38 kinase crystal structure in complex with RO7125 分子名称: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-17 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3FKL	P38 kinase crystal structure in complex with RO9552 分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide 著者 Kuglstatter, A, Ghate, M. 登録日 2008-12-17 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3FI4	P38 kinase crystal structure in complex with RO4499 分子名称: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Knapp, M, Dunten, P. 登録日 2008-12-10 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3FI3	Crystal structure of JNK3 with indazole inhibitor, SR-3737 分子名称: 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 著者 Habel, J.E, Duckett, D, LoGrasso, P. 登録日 2008-12-10 公開日 2009-03-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
3FI2	Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 分子名称: 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 著者 Habel, J.E. 登録日 2008-12-10 公開日 2009-03-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
3FHR	High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex 分子名称: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 著者 Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. 登録日 2008-12-10 公開日 2009-12-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand Protein Sci., 19, 2010
3FC1	Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor 分子名称: 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14 著者 Jacobs, M.D, Bellon, S. 登録日 2008-11-20 公開日 2008-12-09 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase. J.Med.Chem., 48, 2005
3EQI	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P 分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... 著者 Fischmann, T.O. 登録日 2008-09-30 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQH	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P 分子名称: (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... 著者 Fischmann, T.O. 登録日 2008-09-30 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQG	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P 分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... 著者 Fischmann, T.O. 登録日 2008-09-30 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQF	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P 分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ... 著者 Fischmann, T.O. 登録日 2008-09-30 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQD	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P 分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Fischmann, T.O. 登録日 2008-09-30 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQC	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P 分子名称: 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... 著者 Fischmann, T.O. 登録日 2008-09-30 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQB	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Ohren, J.F, Pavlovsky, A, Zhang, E. 登録日 2008-09-30 公開日 2008-11-11 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
3E8N	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Yan, S, Wang, Z.M. 登録日 2008-08-20 公開日 2009-09-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer. Cancer Res., 69, 2009

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