Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,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 Fabimycin ((S,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-[(7S)-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: 2022-04-08 Release date: 2022-12-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.54 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）及法比霉素（Fabimycin，(S,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。结构描述符：(2E)-3-[(7S)-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（NICOTINAMIDE-ADENINE-DINUCLEOTIDE）。作者：Hajian, B.。沉积日期：2022年4月8日。发布日期：2022年12月14日。最后修改日期：2023年10月25日。测试方法：X射线衍射（1.54 Å）。引用文献：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。其中文译名为《指导法比霉素FabI抑制剂发现的迭代策略：一款针对耐药革兰氏阴性感染具有体内疗效的后期抗生素候选药物》。