4J1N

Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold

4J1N の概要

• エントリーDOI: 10.2210/pdb4j1n/pdb
• 関連するPDBエントリー: 3UIC 4J3F 4J4T
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, ... (5 entities in total)
• 機能のキーワード: rossmann fold, reductase, nadh, reduction, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Francisella tularensis subsp. tularensis
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62016.82

構造登録者

Mehboob, S.,Boci, T.,Brubaker, L.,Santarsiero, B.D.,Johnson, M.E. (登録日: 2013-02-01, 公開日: 2014-07-23, 最終更新日: 2023-09-20)

• 主引用文献: Mehboob, S.,Song, J.,Hevener, K.E.,Su, P.C.,Boci, T.,Brubaker, L.,Truong, L.,Mistry, T.,Deng, J.,Cook, J.L.,Santarsiero, B.D.,Ghosh, A.K.,Johnson, M.E.; Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).; Bioorg.Med.Chem.Lett., 25:1292-1296, 2015; PubMed: 25677657; DOI: 10.1016/j.bmcl.2015.01.048

実験手法

X-RAY DIFFRACTION (2.45 Å)