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	Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
ジャーナル・号・ページ	Chemistry, Vol. 29, Page e202203868-e202203868, Year 2023
掲載日	2021年12月16日 (構造データの登録日)
著者	Katariya, M.M. / Snee, M. / Tunnicliffe, R.B. / Kavanagh, M.E. / Boshoff, H.I.M. / Amadi, C.N. / Levy, C.W. / Munro, A.W. / Abell, C. / Leys, D. ...Katariya, M.M. / Snee, M. / Tunnicliffe, R.B. / Kavanagh, M.E. / Boshoff, H.I.M. / Amadi, C.N. / Levy, C.W. / Munro, A.W. / Abell, C. / Leys, D. / Coyne, A.G. / McLean, K.J.
リンク	Chemistry / PubMed:36912255
手法	X線回折
解像度	1.38 - 2.47 Å
構造データ	PDB-7qjl: Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.38 Å PDB-7qke: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7qnn: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) 手法: X-RAY DIFFRACTION / 解像度: 2.47 Å PDB-7qwn: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-7r1i: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.24 Å PDB-7r3u: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-7yxf: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7zlz: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-7zqr: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-7zsu: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7zt0: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-7zxd: Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å
化合物	ChemComp-HEM: PROTOPORPHYRIN IX CONTAINING FE ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-BR: BROMIDE ION / ブロミド ChemComp-DQE: ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate ChemComp-HOH: WATER ChemComp-E1V: ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate ChemComp-E93: ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-CL: Unknown entry / クロリド ChemComp-HIH: ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate ChemComp-2QC: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine / 4-(1,2,3-チアジアゾ-ル-4-イル)ベンジルアミン ChemComp-I6Y: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole ChemComp-JFC: ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-JK9: 4-(4-methoxyphenyl)pyridine / 4-(4-メトキシフェニル)ピリジン ChemComp-JV3: methyl 3-pyridin-4-ylbenzoate ChemComp-JUR: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide ChemComp-KB9: 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one
由来	mycobacterium tuberculosis (結核菌) mycobacterium tuberculosis h37rv (結核菌)
キーワード	OXIDOREDUCTASE / CYP / P450 / Complex / Inhibitor / TB / Tuberculosis / cholesterol / Cytochrome / Heme / surface / entropy / reduction / mycobacterium / monooxygenase / CYP125 / 125 / oxidase / fragment / enzyme / 125A1 / Iron / Metalloprotein