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TitleBinding mode of Isoxazolyl Penicillins to a Class-A beta-lactamase at ambient conditions.
Journal, issue, pagesCommun Chem, Vol. 8, Page 387-387, Year 2025
Publish dateApr 24, 2025 (structure data deposition date)
AuthorsGore, G. / Prester, A. / von Stetten, D. / Bartels, K. / Schulz, E.C.
External linksCommun Chem / PubMed:41326695
MethodsX-ray diffraction
Resolution1.7 - 1.8 Å
Structure data

PDB-9r0r:
Class A CTX-M-14 E166A mutant in complex with Oxacillin at room temperature
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9raj:
Class A CTX-M-14 E166A mutant in complex with Dicloxacillin at room temperature
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-9rao:
Class A CTX-M-14 E166A mutant in complex with Cloxacillin at room temperature
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-1S6:
(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb / antibiotic*YM

ChemComp-HOH:
WATER

ChemComp-DXU:
(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}

ChemComp-CXU:
CLOXACILLIN (OPEN FORM)

Source
  • klebsiella pneumoniae (bacteria)
KeywordsPROTEIN BINDING / Antibiotic resistance / Class A beta-lactamase / isoxazolyl penicillins

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