7PQL

Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704

7PQL の概要

• エントリーDOI: 10.2210/pdb7pql/pdb
• 分子名称: DNA gyrase subunit B, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, ... (4 entities in total)
• 機能のキーワード: dna gyrase, gyrb, inhibitor, antibacterial, isomerase, dna binding protein
• 由来する生物種: Acinetobacter baumannii 1419130
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 47501.98

構造登録者

Cotman, A.E.,Zega, A.,Zidar, N.,Ilas, J.,Tomasic, T.,Masic, L.P.,Mundy, J.E.A.,Stevenson, C.E.M.,Burton, N.,Lawson, D.M.,Maxwell, A.,Kikelj, D. (登録日: 2021-09-17, 公開日: 2022-09-28, 最終更新日: 2024-02-07)

• 主引用文献: Cotman, A.E.,Durcik, M.,Benedetto Tiz, D.,Fulgheri, F.,Secci, D.,Sterle, M.,Mozina, S.,Skok, Z.,Zidar, N.,Zega, A.,Ilas, J.,Peterlin Masic, L.,Tomasic, T.,Hughes, D.,Huseby, D.L.,Cao, S.,Garoff, L.,Berruga Fernandez, T.,Giachou, P.,Crone, L.,Simoff, I.,Svensson, R.,Birnir, B.,Korol, S.V.,Jin, Z.,Vicente, F.,Ramos, M.C.,de la Cruz, M.,Glinghammar, B.,Lenhammar, L.,Henderson, S.R.,Mundy, J.E.A.,Maxwell, A.,Stevenson, C.E.M.,Lawson, D.M.,Janssen, G.V.,Sterk, G.J.,Kikelj, D.; Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.; J.Med.Chem., 66:1380-1425, 2023; PubMed: 36634346; DOI: 10.1021/acs.jmedchem.2c01597

実験手法

X-RAY DIFFRACTION (1.6 Å)