5IWI

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

Summary for 5IWI

• Entry DOI: 10.2210/pdb5iwi/pdb
• Descriptor: 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)
• Functional Keywords: type iia topoisomerase, antibacterial, inhibitor, isomerase, fusion protein
• Biological source: Staphylococcus aureus; More
• Cellular location: Cytoplasm : P66937 Q99XG5
• Total number of polymer chains: 7
• Total formula weight: 170051.68

Authors

Bax, B.D.,Miles, T.J. (deposition date: 2016-03-22, release date: 2016-05-25, Last modification date: 2024-01-10)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.98 Å)