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Structure paper

TitleStructural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
Journal, issue, pagesJ. Antimicrob. Chemother., Vol. 75, Page 2835-2842, Year 2020
Publish dateMar 5, 2020 (structure data deposition date)
AuthorsHenderson, S.R. / Stevenson, C.E.M. / Malone, B. / Zholnerovych, Y. / Mitchenall, L.A. / Pichowicz, M. / McGarry, D.H. / Cooper, I.R. / Charrier, C. / Salisbury, A.M. ...Henderson, S.R. / Stevenson, C.E.M. / Malone, B. / Zholnerovych, Y. / Mitchenall, L.A. / Pichowicz, M. / McGarry, D.H. / Cooper, I.R. / Charrier, C. / Salisbury, A.M. / Lawson, D.M. / Maxwell, A.
External linksJ. Antimicrob. Chemother. / PubMed:32728686
MethodsX-ray diffraction
Resolution1.4 - 1.6 Å
Structure data

PDB-6y8l:
Mycobacterium thermoresistibile GyrB21 in complex with novobiocin
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6y8n:
Mycobacterium thermoresistibile GyrB21 in complex with Redx03863
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-6y8o:
Mycobacterium smegmatis GyrB 22kDa ATPase sub-domain in complex with novobiocin
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-NOV:
NOVOBIOCIN / antibiotic*YM

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-OGH:
4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine

ChemComp-ACT:
ACETATE ION

ChemComp-NA:
Unknown entry

Source
  • mycolicibacterium thermoresistibile (bacteria)
  • mycolicibacterium smegmatis (bacteria)
KeywordsDNA BINDING PROTEIN / Binding Sites / DNA Gyrase / inhibitors / novobiocin / topoisomerase IV / ISOMERASE / Redx03863 IV / novobiocin IV

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