6YRP

Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)

Summary for 6YRP

• Entry DOI: 10.2210/pdb6yrp/pdb
• Descriptor: Metallo-beta-lactamase VIM-2-like protein, ZINC ION, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ... (7 entities in total)
• Functional Keywords: metallo-beta-lactamase, triazole-thione inhibitor, antibiotic resistance, carbapenem-hydrolyzing beta-lactamase, hydrolase
• Biological source: Pseudomonas aeruginosa
• Total number of polymer chains: 1
• Total formula weight: 26490.37

Authors

Docquier, J.D.,Pozzi, C.,De Luca, F.,Benvenuti, M.,Mangani, S. (deposition date: 2020-04-20, release date: 2020-09-30, Last modification date: 2024-01-24)

• Primary citation: 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.; 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.; Eur.J.Med.Chem., 208:112720-112720, 2020; PubMed: 32937203; DOI: 10.1016/j.ejmech.2020.112720

Experimental method

X-RAY DIFFRACTION (1.95 Å)