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TitleScreening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 5542-5554, Year 2016
Publish dateSep 18, 2015 (structure data deposition date)
AuthorsLund, B.A. / Christopeit, T. / Guttormsen, Y. / Bayer, A. / Leiros, H.K.
External linksJ. Med. Chem. / PubMed:27165692
MethodsX-ray diffraction
Resolution1.60000241571 - 2.50003891197 Å
Structure data

PDB-5dtk:
Fragments bound to the OXA-48 beta-lactamase: Compound 17
Method: X-RAY DIFFRACTION / Resolution: 1.60000241571 Å

PDB-5dts:
Fragments bound to the OXA-48 beta-lactamase: Compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.94015871727 Å

PDB-5dtt:
Fragments bound to the OXA-48 beta-lactamase: Compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.10000527 Å

PDB-5dva:
Fragments bound to the OXA-48 beta-lactamase: Compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.50003891197 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-5F3:
3,5-di(pyridin-4-yl)benzoic acid

ChemComp-HOH:
WATER

ChemComp-5F8:
3-(pyridin-3-yl)benzoic acid

ChemComp-5F5:
3-(1,3-thiazol-2-yl)benzoic acid

ChemComp-5FL:
3-(pyridin-4-yl)benzoic acid

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / inhibitor / complex / fragment / lactamase

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