タイトル | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 60, Page 7863-7875, Year 2017 |
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掲載日 | 2017年3月15日 (構造データの登録日) |
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著者 | Zhu, J.Y. / Cuellar, R.A. / Berndt, N. / Lee, H.E. / Olesen, S.H. / Martin, M.P. / Jensen, J.T. / Georg, G.I. / Schonbrunn, E. |
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リンク | J. Med. Chem. / PubMed:28792760 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.7 Å |
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構造データ | PDB-5v5y: CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH MK1775 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5vc3: CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-5vc4: Crystal structure of HUMAN WEE1 KINASE domain in complex with Bosutinib-isomer 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-5vc5: Crystal structure of human WEE1 kinase domain in complex with PD-166285 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-5vc6: crystal structure of human WEE1 kinase domain in complex with PHA-848125 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-5vcv: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-5vcw: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Pelitinib 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-5vcx: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (UNTREATED) IN COMPLEX WITH SARACATINIB 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-5vcy: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-5vcz: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Bosutinib isomer 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5vd0: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH MK1775 手法: X-RAY DIFFRACTION / 解像度: 2.13 Å PDB-5vd1: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH PHA-848125 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5vd2: crystal structure of human WEE1 kinase domain in complex with PF-03814735 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-5vd3: CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (de-phosphorylated) IN COMPLEX WITH SARACATINIB 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5vdk: Crystal structure of human WEE2 kinase domain in complex with MK1775 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å |
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化合物 | ChemComp-8X7: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one / MK-1775 / 抗がん剤, 抗腫瘍剤, 阻害剤*YM
ChemComp-DB8: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile / ボスチニブ / 阻害剤, 薬剤*YM
ChemComp-XZN: 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE
ChemComp-96M: 6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one / PD-166285
ChemComp-P48: N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
ChemComp-1N1: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE / ダサチニブ / 薬剤*YM
ChemComp-H8H: N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE / サラカチニブ / 阻害剤*YM
ChemComp-34W: N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / KINASE DOMAIN / CELL CYCLE / WEE family / TRANSFERASE / INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex / WEE1 / TYROSINE- AND THREONINE-SPECIFIC KINASE / MEMBRANE-ASSOCIATED PROTEIN KINASE / WEE2 |
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