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Title4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Journal, issue, pagesEur. J. Med. Chem., Vol. 208, Page 112720-112720, Year 2020
Publish dateApr 20, 2020 (structure data deposition date)
AuthorsGavara, L. / Sevaille, L. / De Luca, F. / Mercuri, P. / Bebrone, C. / Feller, G. / Legru, A. / Cerboni, G. / Tanfoni, S. / Baud, D. ...Gavara, L. / Sevaille, L. / De Luca, F. / Mercuri, P. / Bebrone, C. / Feller, G. / Legru, A. / Cerboni, G. / Tanfoni, S. / Baud, D. / Cutolo, G. / Bestgen, B. / Chelini, G. / Verdirosa, F. / Sannio, F. / Pozzi, C. / Benvenuti, M. / Kwapien, K. / Fischer, M. / Becker, K. / Frere, J.M. / Mangani, S. / Gresh, N. / Berthomieu, D. / Galleni, M. / Docquier, J.D. / Hernandez, J.F.
External linksEur. J. Med. Chem. / PubMed:32937203
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-6yrp:
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-PJB:
2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-ACT:
ACETATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / Metallo-beta-lactamase / triazole-thione inhibitor / antibiotic resistance / carbapenem-hydrolyzing beta-lactamase

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