3U4W
| Src in complex with DNA-templated macrocyclic inhibitor MC4b | 分子名称: | GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... | 著者 | Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. | 登録日 | 2011-10-10 | 公開日 | 2012-02-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles. Nat.Chem.Biol., 8, 2012
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5FEE
| EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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3TT0
| Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398) | 分子名称: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, Basic fibroblast growth factor receptor 1, GLYCEROL, ... | 著者 | Bussiere, D.E, Murray, J.M, Shu, W. | 登録日 | 2011-09-13 | 公開日 | 2012-06-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase. J.Med.Chem., 54, 2011
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5FBO
| BTK-inhibitor co-structure | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | 著者 | Fischmann, T.O. | 登録日 | 2015-12-14 | 公開日 | 2016-03-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.894 Å) | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. ACS Med Chem Lett, 7, 2016
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3TV4
| Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | 分子名称: | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Selby, L.T, Wu, W.-I. | 登録日 | 2011-09-19 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett, 2, 2011
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3UE4
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3ULZ
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5P9H
| BTK1 COCRYSTALLIZED WITH RN983 | 分子名称: | 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one, Tyrosine-protein kinase BTK | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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5OY6
| Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, cyclical inhibitor OD36 | 著者 | Williams, E.P, Pinkas, D.M, Krojer, T, Kupinska, K, Mahajan, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2017-09-07 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva To Be Published
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5P9J
| BTK1 COCRYSTALLIZED WITH IBRUTINIB | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Tyrosine-protein kinase BTK | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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5P9L
| BTK1 IN COMPLEX WITH CC 292 | 分子名称: | Tyrosine-protein kinase BTK, ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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3KXX
| Structure of the mutant Fibroblast Growth Factor receptor 1 | 分子名称: | Basic fibroblast growth factor receptor 1 | 著者 | Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J. | 登録日 | 2009-12-04 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells. Proc.Natl.Acad.Sci.USA, 107, 2010
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3KRJ
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3KXZ
| The complex crystal structure of LCK with a probe molecule w259 | 分子名称: | 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide, CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, ... | 著者 | Xu, Z.B, Moy, F.J, Kelleher, K, Mosyak, L, Protein Structure Factory (PSF) | 登録日 | 2009-12-04 | 公開日 | 2010-06-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance. J.Med.Chem., 53, 2010
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5P9F
| BTK IN COMPLEX WITH GDC-0834 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ... | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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5OXG
| Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 | 分子名称: | 1,2-ETHANEDIOL, 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ... | 著者 | Williams, E.P, Sorrell, F.J, Kopec, J, Nowak, R.P, Kupinska, K, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2017-09-06 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2. Bone, 109, 2018
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5P9G
| Structure of BTK with RN486 | 分子名称: | 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one, Tyrosine-protein kinase BTK | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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3KMM
| Structure of human LCK kinase with a small molecule inhibitor | 分子名称: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | 著者 | Graves, B.J, Surgenor, A, Harris, W, Smith, I, Orchard, S, Flotow, H, Murray, E. | 登録日 | 2009-11-10 | 公開日 | 2010-12-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of human LCK kinase with a small molecule inhibitor To be Published
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5P9M
| BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059 | 分子名称: | 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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3KY2
| Crystal structure of Fibroblast Growth Factor Receptor 1 kinase domain | 分子名称: | Basic fibroblast growth factor receptor 1, SULFATE ION | 著者 | Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J. | 登録日 | 2009-12-04 | 公開日 | 2010-03-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells. Proc.Natl.Acad.Sci.USA, 107, 2010
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5P9I
| BTK1 SOAKED WITH IBRUTINIB-Rev | 分子名称: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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3KRR
| Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor | 分子名称: | 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, Tyrosine-protein kinase JAK2 | 著者 | Tavares, G.A, Gerspacher, M, Kroemer, M, Scheufler, C. | 登録日 | 2009-11-19 | 公開日 | 2010-07-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805 Mol.Cancer Ther., 9, 2010
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3KRL
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5P9K
| CRYSTAL STRUCTURE OF BTK with CNX 774 | 分子名称: | 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein kinase BTK | 著者 | Gardberg, A.S. | 登録日 | 2016-09-20 | 公開日 | 2017-05-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling. Mol. Pharmacol., 91, 2017
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3BU5
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