タイトル | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. |
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ジャーナル・号・ページ | Protein Sci., Vol. 20, Page 428-436, Year 2011 |
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掲載日 | 2010年11月8日 (構造データの登録日) |
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著者 | Kuglstatter, A. / Wong, A. / Tsing, S. / Lee, S.W. / Lou, Y. / Villasenor, A.G. / Bradshaw, J.M. / Shaw, D. / Barnett, J.W. / Browner, M.F. |
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リンク | Protein Sci. / PubMed:21280133 |
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手法 | X線回折 |
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解像度 | 1.75 - 2.55 Å |
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構造データ | PDB-3pix: Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-3piy: Crystal structure of BTK kinase domain complexed with R406 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-3piz: Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone 手法: X-RAY DIFFRACTION / 解像度: 2.21 Å PDB-3pj1: Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-3pj2: Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-3pj3: Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å |
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化合物 | ChemComp-027: 7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one
ChemComp-03C: [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
ChemComp-LHL: 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
ChemComp-04K: 2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
ChemComp-04L: 2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/INHIBITOR / helix C-out / DFG-in / TRANSFERASE / TRANSFERASE-INHIBITOR complex / helix C-in / DFG-out |
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