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Title1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 17, Page e202100699-e202100699, Year 2022
Publish dateSep 10, 2021 (structure data deposition date)
AuthorsVerdirosa, F. / Gavara, L. / Sevaille, L. / Tassone, G. / Corsica, G. / Legru, A. / Feller, G. / Chelini, G. / Mercuri, P.S. / Tanfoni, S. ...Verdirosa, F. / Gavara, L. / Sevaille, L. / Tassone, G. / Corsica, G. / Legru, A. / Feller, G. / Chelini, G. / Mercuri, P.S. / Tanfoni, S. / Sannio, F. / Benvenuti, M. / Cerboni, G. / De Luca, F. / Bouajila, E. / Vo Hoang, Y. / Licznar-Fajardo, P. / Galleni, M. / Pozzi, C. / Mangani, S. / Docquier, J.D. / Hernandez, J.F.
External linksChemmedchem / PubMed:35050549
MethodsX-ray diffraction
Resolution1.73 Å
Structure data

PDB-7pp0:
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-7ZN:
2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid

ChemComp-HOH:
WATER

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

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