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	Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
ジャーナル・号・ページ	J. Med. Chem., Vol. 61, Page 6647-6657, Year 2018
掲載日	2017年11月9日 (構造データの登録日)
著者	Jakob, C.G. / Upadhyay, A.K. / Donner, P.L. / Nicholl, E. / Addo, S.N. / Qiu, W. / Ling, C. / Gopalakrishnan, S.M. / Torrent, M. / Cepa, S.P. ...Jakob, C.G. / Upadhyay, A.K. / Donner, P.L. / Nicholl, E. / Addo, S.N. / Qiu, W. / Ling, C. / Gopalakrishnan, S.M. / Torrent, M. / Cepa, S.P. / Shanley, J. / Shoemaker, A.R. / Sun, C.C. / Vasudevan, A. / Woller, K.R. / Shotwell, J.B. / Shaw, B. / Bian, Z. / Hutti, J.E.
リンク	J. Med. Chem. / PubMed:30004704
手法	X線回折
解像度	1.65 - 2.17 Å
構造データ	PDB-6bkx: Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-6bky: Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 手法: X-RAY DIFFRACTION / 解像度: 2.17 Å PDB-6bkz: Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-6bl0: Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11 手法: X-RAY DIFFRACTION / 解像度: 2.17 Å PDB-6bl1: Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-6bl2: Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å
化合物	ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-ICT: ISOCITRIC ACID / D-イソくえん酸 ChemComp-DWP: (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile ChemComp-HOH: WATER ChemComp-LMR: (2S)-2-hydroxybutanedioic acid / L-りんご酸 ChemComp-MG: Unknown entry / マグネシウムジカチオン ChemComp-K32: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE / 4,5,6,7-テトラブロモ-1H-ベンゾイミダゾ-ル-2(3H)-オン ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE ChemComp-DWM: (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide ChemComp-DWJ: (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile ChemComp-DWG: (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile ChemComp-DWS: 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
由来	homo sapiens (ヒト)
キーワード	OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor / dehydrogenase / inhibitor / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex