タイトル | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. |
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ジャーナル・号・ページ | Acs Chem. Biol., Vol. 7, Page 698-706, Year 2012 |
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掲載日 | 2011年11月15日 (構造データの登録日) |
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著者 | Martin, M.P. / Zhu, J.Y. / Lawrence, H.R. / Pireddu, R. / Luo, Y. / Alam, R. / Ozcan, S. / Sebti, S.M. / Lawrence, N.J. / Schonbrunn, E. |
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リンク | Acs Chem. Biol. / PubMed:22248356 |
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手法 | X線回折 |
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解像度 | 1.9001 - 2.9506 Å |
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構造データ | PDB-3unj: CDK2 in complex with inhibitor YL1-038-31 手法: X-RAY DIFFRACTION / 解像度: 1.9001 Å PDB-3unk: CDK2 in complex with inhibitor YL5-083 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3unz: Aurora A in Complex with RPM1679 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-3uo4: Aurora A in complex with RPM1680 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-3uo5: Aurora A in complex with YL1-038-31 手法: X-RAY DIFFRACTION / 解像度: 2.7012 Å PDB-3uo6: Aurora A in complex with YL5-083 手法: X-RAY DIFFRACTION / 解像度: 2.8002 Å PDB-3uod: Aurora A in complex with RPM1693 手法: X-RAY DIFFRACTION / 解像度: 2.5002 Å PDB-3uoh: Aurora A in complex with RPM1722 手法: X-RAY DIFFRACTION / 解像度: 2.8002 Å PDB-3uoj: Aurora A in complex with RPM1715 手法: X-RAY DIFFRACTION / 解像度: 2.9003 Å PDB-3uok: Aurora A in complex with YL5-81-1 手法: X-RAY DIFFRACTION / 解像度: 2.9506 Å PDB-3uol: Aurora A in complex with SO2-162 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-3up2: Aurora A in complex with RPM1686 手法: X-RAY DIFFRACTION / 解像度: 2.3001 Å |
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化合物 | ChemComp-0BX: 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid
ChemComp-0BY: 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
ChemComp-0BZ: 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
ChemComp-0C0: 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
ChemComp-0C3: 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
ChemComp-0C4: 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
ChemComp-0C5: 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
ChemComp-0C6: 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid
ChemComp-0C7: N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
ChemComp-0C8: 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / Protein kinase / allosteric ligand / ANS / TRANSFERASE-TRANSFERASE INHIBITOR complex / aurora A / inhibitor / DFG-out / DFG-in |
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