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Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21

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Protein Data Bank Japan2024-01-31 更新2026-03-21 收录
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https://pdbj.org/mine/summary/7nqo
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Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... Authors: Selvam, I.R. Deposit date: 2021-03-01 Release date: 2022-02-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022

结核分枝杆菌(Mycobacterium tuberculosis)细胞色素P450(Cytochrome P450)CYP121与先导化合物21的复合物 描述:2-(N-吗啉代)乙磺酸、4-[4-[2-(5-溴-1H-吲哚-3-基)乙基]嘧啶-2-基]吗啉、氯离子…… 作者:Selvam, I.R. 存入日期:2021-03-01 发布日期:2022-02-02 最后修改日期:2024-01-31 实验方法:X射线衍射(X-RAY DIFFRACTION),分辨率1.6埃(1.6 Å) 引用文献:《新型命中物生成策略:结合X射线晶体学与表型筛选法(XP筛选)发现结核分枝杆菌CYP121A1的细胞内活性新型抑制剂》,《欧洲药物化学杂志》(Eur.J.Med.Chem.),230卷,2022年
创建时间:
2021-03-01
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