Crystal structure of topoisomerase IV from Klebsiella pneumoniae in complex with DNA and BWC0977, a dual-targeting broad-spectrum novel bacterial topoisomerase inhibitor.

Crystal structure of topoisomerase IV from Klebsiella pneumoniae in complex with DNA and BWC0977, a dual-targeting broad-spectrum novel bacterial topoisomerase inhibitor. Descriptor: 6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one, DNA (5'-D(P*TP*TP*AP*CP*GP*TP*TP*GP*TP*AP*TP*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A Authors: Murakami, S, Okada, U, Yamashita, E, Aoki, M, Hameed, S, Katagihallimath, N, Balasubramanian, V, Ramachandran, V, Datta, S. Deposit date: 2024-11-09 Release date: 2025-11-12 Last modified: 2025-12-10 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Structural interactions of BWC0977 with Klebsiella pneumoniae topoisomerase IV and biochemical basis of its broad-spectrum activity. Commun Biol, 8, 2025

本数据集对应肺炎克雷伯菌（Klebsiella pneumoniae）拓扑异构酶IV（topoisomerase IV）与DNA及双靶点广谱新型细菌拓扑异构酶抑制剂BWC0977的复合物晶体结构。
描述项：6-[(5S)-5-[[[2-(7-氟-1,2-二氢-1-甲基-2-氧代-8-喹啉基)乙基]氨基]甲基]-2-氧代-3-恶唑烷基]-2H-吡嗪并[2,3-b]-1,4-恶嗪-3(4H)-酮、DNA(5'-D(P*TP*TP*AP*CP*GP*TP*TP*GP*TP*AP*TP*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3')、DNA拓扑异构酶4亚基B（DNA topoisomerase 4 subunit B）、DNA拓扑异构酶4亚基A（DNA topoisomerase 4 subunit A）。
作者：Murakami, S、Okada, U、Yamashita, E、Aoki, M、Hameed, S、Katagihallimath, N、Balasubramanian, V、Ramachandran, V、Datta, S。
提交日期：2024-11-09；发布日期：2025-11-12；最后修改日期：2025-12-10。
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率3.05埃（Å）。
引用文献：《BWC0977与肺炎克雷伯菌拓扑异构酶IV的结构相互作用及其广谱活性的生化基础》，发表于《Communications Biology（Commun Biol）》，2025年，第8卷。