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TitleRational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 3795-3812, Year 2024
Publish dateNov 17, 2023 (structure data deposition date)
AuthorsVillamil, V. / Rossi, M.A. / Mojica, M.F. / Hinchliffe, P. / Martinez, V. / Castillo, V. / Saiz, C. / Banchio, C. / Macias, M.A. / Spencer, J. ...Villamil, V. / Rossi, M.A. / Mojica, M.F. / Hinchliffe, P. / Martinez, V. / Castillo, V. / Saiz, C. / Banchio, C. / Macias, M.A. / Spencer, J. / Bonomo, R.A. / Vila, A. / Moreno, D.M. / Mahler, G.
External linksJ. Med. Chem. / PubMed:38373290
MethodsX-ray diffraction
Resolution1.56 - 1.58 Å
Structure data

PDB-8r5t:
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-8r5u:
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

Chemicals


ChemComp, No image

ChemComp-Y4E:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-FMT:
FORMIC ACID

Source
  • klebsiella pneumoniae (bacteria)
  • pseudomonas aeruginosa (bacteria)
KeywordsANTIMICROBIAL PROTEIN / metallo-beta-lactamase / inhibitor

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