EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 60, Page 7863-7875, Year 2017
掲載日	2017年3月15日 (構造データの登録日)
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.
リンク	J. Med. Chem. / PubMed:28792760
手法	X線回折
解像度	1.5 - 2.7 Å
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
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-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-HOH: WATER 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-CL: Unknown entry / クロリド ChemComp-XZN: 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE ChemComp-PO4: PHOSPHATE ION / ホスファ-ト 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-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル 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-93J: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide / (E)-N-[3-シアノ-4-[(4-フルオロ-3-クロロフェニル)アミノ]-7-エトキシキノリン-6-イル]-4-((以下略) ChemComp-SO4: SULFATE ION / 硫酸ジアニオン 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
由来	homo sapiens (ヒト)
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