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Structure paper

TitleDiscovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5150-5156, Year 2012
Publish dateApr 11, 2012 (structure data deposition date)
AuthorsManchester, J.I. / Dussault, D.D. / Rose, J.A. / Boriack-Sjodin, P.A. / Uria-Nickelsen, M. / Ioannidis, G. / Bist, S. / Fleming, P. / Hull, K.G.
External linksBioorg. Med. Chem. Lett. / PubMed:22814212
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-4em7:
Crystal structure of a topoisomerase ATP inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4emv:
Crystal structure of a topoisomerase ATP inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-0RA:
3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid

ChemComp-HOH:
WATER

ChemComp-0R9:
5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid

Source
  • streptococcus pneumoniae ga47373 (bacteria)
KeywordsISOMERASE/ISOMERASE INHIBITOR / protein-inhibitor complex / ATP binding / structure-based drug design / antimicrobial / virtual screen / ISOMERASE-ISOMERASE INHIBITOR complex

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