9FOY

Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b

これはPDB形式変換不可エントリーです。

9FOY の概要

• エントリーDOI: 10.2210/pdb9foy/pdb
• 分子名称: DNA gyrase subunit B,DNA gyrase subunit A, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), DNA (5'-D(P*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... (5 entities in total)
• 機能のキーワード: type iia topoisomerase, antibacterial, inhibitor, isomerase, fusion protein
• 由来する生物種: Mycobacterium tuberculosis H37Rv; 詳細
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 181960.52

構造登録者

Kokot, M.,Hrast, M.,Feng, L.,Mitchenall, L.A.,Lawson, D.M.,Maxwell, A.,Minovski, N.,Anderluh, M. (登録日: 2024-06-12, 公開日: 2024-08-07, 最終更新日: 2025-02-19)

主引用文献

Kokot, M.,Hrast Rambaher, M.,Feng, L.,Mitchenall, L.A.,Lawson, D.M.,Maxwell, A.,Parish, T.,Minovski, N.,Anderluh, M.
Structural Aspects of Mycobacterium tuberculosis DNA Gyrase Targeted by Novel Bacterial Topoisomerase Inhibitors.
Acs Med.Chem.Lett., 15:2164-2170, 2024

PubMed Abstract: In this Letter, we present a small series of novel bacterial topoisomerase inhibitors (NTBIs) that exhibit both potent inhibition of DNA gyrase and potent antimycobacterial activity. The disclosed crystal structure of DNA gyrase in complex with DNA and compound from this NBTI series reveals the binding mode of an NBTI in the GyrA binding pocket and confirms the presence and importance of halogen bonding for the excellent on-target potency. In addition, we have shown that compound is a promising DNA gyrase inhibitor, with an IC for gyrase of 0.096 μM, and it has potent activity against , with an IC of 0.165 μM.

PubMed: 39691510
DOI: 10.1021/acsmedchemlett.4c00447

実験手法

X-RAY DIFFRACTION (2.8 Å)