5IWI

1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA

5IWI の概要

• エントリーDOI: 10.2210/pdb5iwi/pdb
• 分子名称: DNA gyrase subunit B,DNA gyrase subunit B, DNA gyrase subunit A, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ... (10 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: Staphylococcus aureus; 詳細
• 細胞内の位置: Cytoplasm : P66937 Q99XG5
• タンパク質・核酸の鎖数: 7
• 化学式量合計: 170051.68

構造登録者

Bax, B.D.,Miles, T.J. (登録日: 2016-03-22, 公開日: 2016-05-25, 最終更新日: 2024-01-10)

主引用文献

Miles, T.J.,Hennessy, A.J.,Bax, B.,Brooks, G.,Brown, B.S.,Brown, P.,Cailleau, N.,Chen, D.,Dabbs, S.,Davies, D.T.,Esken, J.M.,Giordano, I.,Hoover, J.L.,Jones, G.E.,Kusalakumari Sukmar, S.K.,Markwell, R.E.,Minthorn, E.A.,Rittenhouse, S.,Gwynn, M.N.,Pearson, N.D.
Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26:2464-2469, 2016

PubMed Abstract: During the course of our research on the lead optimisation of the NBTI (Novel Bacterial Type II Topoisomerase Inhibitors) class of antibacterials, we discovered a series of tricyclic compounds that showed good Gram-positive and Gram-negative potency. Herein we will discuss the various subunits that were investigated in this series and report advanced studies on compound 1 (GSK945237) which demonstrates good PK and in vivo efficacy properties.

PubMed: 27055939
DOI: 10.1016/j.bmcl.2016.03.106

実験手法

X-RAY DIFFRACTION (1.98 Å)