3TTZ

Crystal structure of a topoisomerase ATPase inhibitor

Summary for 3TTZ

• Entry DOI: 10.2210/pdb3ttz/pdb
• Related: 3U2D 3U2K
• Descriptor: DNA gyrase subunit B, 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: protein-inhibitor complex, atp-binding, structure-based drug design, antimicrobial, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• Biological source: Staphylococcus aureus; More
• Cellular location: Cytoplasm : P0A0K8
• Total number of polymer chains: 2
• Total formula weight: 46054.51

Authors

Boriack-Sjodin, P.A.,Read, J.,Eakin, A.E.,Sherer, B.A. (deposition date: 2011-09-15, release date: 2011-11-16, Last modification date: 2024-02-28)

Primary citation

Sherer, B.A.,Hull, K.,Green, O.,Basarab, G.,Hauck, S.,Hill, P.,Loch, J.T.,Mullen, G.,Bist, S.,Bryant, J.,Boriack-Sjodin, A.,Read, J.,Degrace, N.,Uria-Nickelsen, M.,Illingworth, R.N.,Eakin, A.E.
Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21:7416-7420, 2011

PubMed Abstract: The pyrrolamides are a new class of antibacterial agents targeting DNA gyrase, an essential enzyme across bacterial species and inhibition results in the disruption of DNA synthesis and subsequently, cell death. The optimization of biochemical activity and other drug-like properties through substitutions to the pyrrole, piperidine, and heterocycle portions of the molecule resulted in pyrrolamides with improved cellular activity and in vivo efficacy.

PubMed: 22041057
DOI: 10.1016/j.bmcl.2011.10.010

Experimental method

X-RAY DIFFRACTION (1.63 Å)