7UMW

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)

7UMW の概要

• エントリーDOI: 10.2210/pdb7umw/pdb
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (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, ... (4 entities in total)
• 機能のキーワード: enoyl reductase, fabi, antimicrobial resistance, antibiotic
• 由来する生物種: Escherichia coli str. K-12 substr. MG1655
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 58656.31

構造登録者

Hajian, B. (登録日: 2022-04-08, 公開日: 2022-12-14, 最終更新日: 2023-10-25)

主引用文献

Parker, E.N.,Cain, B.N.,Hajian, B.,Ulrich, R.J.,Geddes, E.J.,Barkho, S.,Lee, H.Y.,Williams, J.D.,Raynor, M.,Caridha, D.,Zaino, A.,Rohde, J.M.,Zak, M.,Shekhar, M.,Munoz, K.A.,Rzasa, K.M.,Temple, E.R.,Hunt, D.,Jin, X.,Vuong, C.,Pannone, K.,Kelly, A.M.,Mulligan, M.P.,Lee, K.K.,Lau, G.W.,Hung, D.T.,Hergenrother, P.J.
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., 8:1362-1362, 2022

PubMed Abstract: [This corrects the article DOI: 10.1021/acscentsci.2c00598.].

PubMed: 36188352
DOI: 10.1021/acscentsci.2c00969

実験手法

X-RAY DIFFRACTION (1.54 Å)