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Title1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Journal, issue, pagesEur. J. Med. Chem., Vol. 226, Page 113873-113873, Year 2021
Publish dateJun 14, 2021 (structure data deposition date)
AuthorsLegru, A. / Verdirosa, F. / Hernandez, J.F. / Tassone, G. / Sannio, F. / Benvenuti, M. / Conde, P.A. / Bossis, G. / Thomas, C.A. / Crowder, M.W. ...Legru, A. / Verdirosa, F. / Hernandez, J.F. / Tassone, G. / Sannio, F. / Benvenuti, M. / Conde, P.A. / Bossis, G. / Thomas, C.A. / Crowder, M.W. / Dillenberger, M. / Becker, K. / Pozzi, C. / Mangani, S. / Docquier, J.D. / Gavara, L.
External linksEur. J. Med. Chem. / PubMed:34626878
MethodsX-ray diffraction
Resolution1.8 - 1.92 Å
Structure data

PDB-7ove:
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210)
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-7ovf:
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7ovh:
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION


ChemComp, No image

ChemComp-UNL:
Unknown ligand

ChemComp-HOH:
WATER

ChemComp-1TH:
4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / metallo-beta-Lactamase / VIM-2 / triazole-thione / inhibitor / zinc

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