Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints

Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints Descriptor: (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. Deposit date: 2014-06-17 Release date: 2014-08-13 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006

结核分枝杆菌烯酰还原酶（INHA）与N-(3-溴苯基)-1-环己基-5-氧代吡咯烷-3-甲酰胺结合的晶体结构，采用新型配体约束条件完成精修。结构描述符：(3S)-N-(3-溴苯基)-1-环己基-5-氧代吡咯烷-3-甲酰胺、烯酰-[酰基载体蛋白（acyl-carrier-protein）]还原酶 [NADH]、烟酰胺腺嘌呤二核苷酸（nicotinamide-adenine dinucleotide）。作者：He, X、Alian, A、Stroud, R.M、Ortiz de Montellano, P.R。提交日期：2014-06-17；发布日期：2014-08-13；最后修改日期：2023-12-27。实验方法：X射线衍射（分辨率1.73埃）。引用文献：吡咯烷甲酰胺类：一类新型结核分枝杆菌烯酰酰基载体蛋白还原酶抑制剂，《药物化学杂志》，2006年。