PDB: 2356 件ウェブページステータス検索Chemie searchBIRD

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5WIM	JAK2 Pseudokinase in complex with AT9283 分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WIL	JAK2 Pseudokinase in complex with AZD7762 分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WIK	JAK2 Pseudokinase in complex with BI-D1870 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WIJ	JAK2 Pseudokinase in complex with NU6140 分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WFJ	THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR 分子名称: 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 著者 Sack, J. 登録日 2017-07-12 公開日 2017-10-04 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 Discovery of highly potent, selective, covalent inhibitors of JAK3. Bioorg. Med. Chem. Lett., 27, 2017
5WEV	Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model 分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 著者 Ultsch, M.H, Magnuson, S. 登録日 2017-07-10 公開日 2017-09-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.854 Å) 主引用文献 Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model. Bioorg. Med. Chem. Lett., 27, 2017
5WAL	Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model 分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 著者 Ultsch, M.H, Magnuson, S. 登録日 2017-06-26 公開日 2017-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model. Bioorg. Med. Chem. Lett., 27, 2017
5W86	CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7) 分子名称: 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide, Tyrosine-protein kinase JAK3 著者 Sack, J.S. 登録日 2017-06-21 公開日 2017-10-11 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5W85	CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 9) 分子名称: 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 著者 Sack, J.S. 登録日 2017-06-21 公開日 2017-10-11 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5W84	CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 4) 分子名称: 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 著者 Sack, J.S. 登録日 2017-06-21 公開日 2017-10-11 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5W5O	Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. 分子名称: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2 著者 Kreusch, A, Spraggon, G. 登録日 2017-06-15 公開日 2017-10-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
5W5J	Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases 分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION 著者 Kreusch, A, Spraggon, G. 登録日 2017-06-15 公開日 2017-10-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
5VO6	CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR 分子名称: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 著者 Sack, J.S. 登録日 2017-05-02 公開日 2017-05-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5VO2	DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7) 分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 著者 HARRIS, S.F, YIN, J. 登録日 2017-05-01 公開日 2017-10-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease. J. Med. Chem., 60, 2017
5VO1	DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine) 分子名称: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 著者 HARRIS, S.F, YIN, J. 登録日 2017-05-01 公開日 2017-10-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease. J. Med. Chem., 60, 2017
5VND	Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527 分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ... 著者 Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A. 登録日 2017-04-30 公開日 2017-05-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma. Cancer Res., 77, 2017
5VGO	Bruton's tyrosine kinase (BTK) with compound G-744 分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ... 著者 Yu, C, Eigenbrot, C. 登録日 2017-04-11 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.621 Å) 主引用文献 Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties. ACS Med Chem Lett, 8, 2017
5VFI	Bruton's tyrosine kinase (BTK) with GDC-0853 分子名称: 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... 著者 Steinbacher, S, Eigenbrot, C. 登録日 2017-04-07 公開日 2018-02-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J. Med. Chem., 61, 2018
5VE6	Crystal structure of Sugen kinase 223 分子名称: Tyrosine-protein kinase SgK223 著者 Patel, O, Lucet, I, Panjikar, S. 登録日 2017-04-03 公開日 2017-10-18 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.953 Å) 主引用文献 Structure of SgK223 pseudokinase reveals novel mechanisms of homotypic and heterotypic association. Nat Commun, 8, 2017
5VAM	BRAF in Complex with RAF709 分子名称: N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf 著者 Mamo, M, Appleton, B.A. 登録日 2017-03-27 公開日 2017-06-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
5VAL	BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide 分子名称: N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf 著者 Mamo, M, Appleton, B.A. 登録日 2017-03-27 公開日 2017-06-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
5V5N	Crystal structure of Takinib bound to TAK1 分子名称: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide 著者 Gurbani, D, Westover, K, Bera, A.K. 登録日 2017-03-14 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.006 Å) 主引用文献 Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease. Cell Chem Biol, 24, 2017
5UWD	Crystal structure of EGFR kinase domain (L858R, T790M, V948R) in complex with the covalent inhibitor CO-1686 分子名称: Epidermal growth factor receptor, N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide 著者 Gajiwala, K.S, Ferre, R.A. 登録日 2017-02-21 公開日 2017-10-18 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 Proteome-wide Map of Targets of T790M-EGFR-Directed Covalent Inhibitors. Cell Chem Biol, 24, 2017
5UV4	Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative leucine-rich repeat protein kinase family protein 著者 Counago, R.M, Aquino, B, Massirer, K.B, Gileadi, O, Arruda, P, Structural Genomics Consortium (SGC) 登録日 2017-02-17 公開日 2017-04-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP To Be Published
5UT6	JAK2 JH2 in complex with a diaminopyrimidine 分子名称: 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Puleo, D.E, Schlessinger, J. 登録日 2017-02-14 公開日 2017-06-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.645 Å) 主引用文献 JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Med Chem Lett, 8, 2017

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