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TitleC6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Journal, issue, pagesMbio, Vol. 13, Page e0036722-e0036722, Year 2022
Publish dateDec 15, 2021 (structure data deposition date)
AuthorsStewart, N.K. / Toth, M. / Alqurafi, M.A. / Chai, W. / Nguyen, T.Q. / Quan, P. / Lee, M. / Buynak, J.D. / Smith, C.A. / Vakulenko, S.B.
External linksMbio / PubMed:35420470
MethodsX-ray diffraction
Resolution2.3 - 2.65 Å
Structure data

PDB-7t7d:
MA-1-206-OXA-23 30s complex
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-7t7e:
MA-1-206-OXA-23 3 minute complex
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7t7f:
MA-1-206-OXA-23 25 minute complex
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7t7g:
Imipenem-OXA-23 2 minute complex
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-FDX:
(2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-IM2:
(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox / antibiotic*YM

Source
  • acinetobacter baumannii (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / antibiotic resistance / inhibitor / complex / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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