Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide

Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide Descriptor: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Hajian, B. Deposit date: 2022-04-06 Release date: 2023-02-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.7 Å) Cite: An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022

大肠杆菌（E. Coli）FabI与烟酰胺腺嘌呤二核苷酸（NAD）以及(R,E)-3-(7-氨基-8-氧代-6,7,8,9-四氢-5H-吡啶并[2,3-b]氮杂卓-3-基)-N-甲基-N-((3-甲基苯并呋喃-2-基)甲基)丙烯酰胺复合物的晶体结构。描述符：(2E)-3-[(7R)-7-氨基-8-氧代-6,7,8,9-四氢-5H-吡啶并[2,3-b]氮杂卓-3-基]-N-甲基-N-[(3-甲基-1-苯并呋喃-2-基)甲基]丙-2-烯酰胺、烯酰-[酰基载体蛋白]还原酶[NADH] FabI、烟酰胺-腺嘌呤-二核苷酸。作者：Hajian, B.。沉积日期：2022-04-06；发布日期：2023-02-15；最后修改日期：2023-10-25。实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.7 Å）。引用文献：《迭代法指导发现FabI抑制剂Fabimycin：一款针对耐药革兰氏阴性感染具有体内疗效的晚期抗生素候选药物》，发表于ACS Central Science, 8, 2022