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TitleRepurposing of compound libraries yields new inhibitors of NDM-1 metallo-beta-lactamase with diverse zinc-binding moieties
Journal, issue, pagesEur J Med Chem Rep, Vol. 15, Page 100282-, Year 2025
Publish dateApr 24, 2025 (structure data deposition date)
AuthorsKavas, V. / Hinchliffe, P. / Zorman, M. / Krajnc, A. / Proj, M. / Golob, M. / Rambaher, M.H. / Spencer, J. / Gobec, S.
External linksEur J Med Chem Rep / Search PubMed
MethodsX-ray diffraction
Resolution1.13 - 1.27 Å
Structure data

PDB-9r0x:
Crystal structure of NDM-1 with thiol compound 14a
Method: X-RAY DIFFRACTION / Resolution: 1.13 Å

PDB-9r0y:
Crystal structure of NDM-1 with thiol compound 22b
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

PDB-1jcj:
OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

PDB-1jck:
T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SEC3 SUPERANTIGEN

Source
  • klebsiella pneumoniae (bacteria)
KeywordsANTIMICROBIAL PROTEIN / inhibitor / thiol / antimicrobial resistance / metall-beta-lactamase

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