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TitleThe Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 63, Year 2019
Publish dateJul 25, 2018 (structure data deposition date)
AuthorsJanardhanan, J. / Bouley, R. / Martinez-Caballero, S. / Peng, Z. / Batuecas-Mordillo, M. / Meisel, J.E. / Ding, D. / Schroeder, V.A. / Wolter, W.R. / Mahasenan, K.V. ...Janardhanan, J. / Bouley, R. / Martinez-Caballero, S. / Peng, Z. / Batuecas-Mordillo, M. / Meisel, J.E. / Ding, D. / Schroeder, V.A. / Wolter, W.R. / Mahasenan, K.V. / Hermoso, J.A. / Mobashery, S. / Chang, M.
External linksAntimicrob. Agents Chemother. / PubMed:30858202
MethodsX-ray diffraction
Resolution2.5 - 2.82 Å
Structure data

PDB-6h5o:
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

PDB-6q9n:
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-JPP:
Piperacillin (Open Form)

ChemComp-CD:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-QLN:
3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

ChemComp-CL:
Unknown entry

ChemComp-MUR:
beta-muramic acid

Source
  • staphylococcus aureus (strain mu50 / atcc 700699) (bacteria)
KeywordsHYDROLASE / Penicillin Binding Protein

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