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Structure paper

TitleSmall-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 63, Year 2019
Publish dateJul 10, 2017 (structure data deposition date)
AuthorsTomich, A.D. / Klontz, E.H. / Deredge, D. / Barnard, J.P. / McElheny, C.L. / Eshbach, M.L. / Weisz, O.A. / Wintrode, P. / Doi, Y. / Sundberg, E.J. / Sluis-Cremer, N.
External linksAntimicrob. Agents Chemother. / PubMed:30642934
MethodsX-ray diffraction
Resolution1.85 - 3.502 Å
Structure data

PDB-5wep:
Crystal structure of fosfomycin resistance protein FosA3 with inhibitor (ANY1) bound
Method: X-RAY DIFFRACTION / Resolution: 3.502 Å

PDB-5wew:
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY1) bound
Method: X-RAY DIFFRACTION / Resolution: 3.178 Å

PDB-6c3u:
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY2) bound
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-A81:
6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)

ChemComp-ZN:
Unknown entry

ChemComp-MN:
Unknown entry

ChemComp-NY2:
3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
  • klebsiella pneumoniae 30684/njst258_2 (bacteria)
  • klebsiella pneumoniae (bacteria)
Keywordstransferase/transferase inhibitor / fosfomycin / FosA / FosA3 / glutathione S-transferase / ANY1 / TRANSFERASE / transferase-transferase inhibitor complex / FosAKP / TRANSFERASE/INHIBITOR / ANY2 / TRANSFERASE-INHIBITOR complex

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