タイトル | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. |
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ジャーナル・号・ページ | J. Mol. Biol., Vol. 429, Page 2211-2230, Year 2017 |
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掲載日 | 2017年2月21日 (構造データの登録日) |
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著者 | Uitdehaag, J.C.M. / de Man, J. / Willemsen-Seegers, N. / Prinsen, M.B.W. / Libouban, M.A.A. / Sterrenburg, J.G. / de Wit, J.J.P. / de Vetter, J.R.F. / de Roos, J.A.D.M. / Buijsman, R.C. / Zaman, G.J.R. |
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リンク | J. Mol. Biol. / PubMed:28539250 |
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手法 | X線回折 |
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解像度 | 2.1 - 2.9 Å |
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構造データ | PDB-5n7v: TTK kinase domain in complex with MPI-0479605 手法: X-RAY DIFFRACTION / 解像度: 2.52 Å PDB-5n84: TTK kinase domain in complex with Mps-BAY2b 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5n87: TTK kinase domain in complex with NTRC 0066-0 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-5n93: TTK kinase domain in complex with TC-Mps1-12 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5n9s: TTK kinase domain in complex with BAY 1161909 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-5na0: TTK kinase domain in complex with a PEG-linked pyrimido-indolizine 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-5nad: TTK kinase domain in complex with BAY 1217389 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å |
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化合物 | ChemComp-8PT: ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine
ChemComp-8Q5: ~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
ChemComp-N66: ~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
ChemComp-8QW: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
ChemComp-8QZ: ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE (転移酵素) / kinase (キナーゼ) / inhibitor (酵素阻害剤) / mitosis (有糸分裂) / Mps1 / Joost Uitdehaag and Nicole Seegers 13021 |
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