8A76

Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26

Summary for 8A76

• Entry DOI: 10.2210/pdb8a76/pdb
• Descriptor: Metallo-beta-lactamase NDM-1, ZINC ION, CALCIUM ION, ... (8 entities in total)
• Functional Keywords: metallo-beta-lactamase, hydrolase
• Biological source: Pseudomonas aeruginosa
• Total number of polymer chains: 2
• Total formula weight: 53111.23

Authors

Vascon, F.,Legru, A.,Hernandez, J.F.,Cendron, L. (deposition date: 2022-06-20, release date: 2022-12-14, Last modification date: 2024-01-31)

• Primary citation: Legru, A.,Verdirosa, F.,Vo-Hoang, Y.,Tassone, G.,Vascon, F.,Thomas, C.A.,Sannio, F.,Corsica, G.,Benvenuti, M.,Feller, G.,Coulon, R.,Marcoccia, F.,Devente, S.R.,Bouajila, E.,Piveteau, C.,Leroux, F.,Deprez-Poulain, R.,Deprez, B.,Licznar-Fajardo, P.,Crowder, M.W.,Cendron, L.,Pozzi, C.,Mangani, S.,Docquier, J.D.,Hernandez, J.F.,Gavara, L.; Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.; J.Med.Chem., 65:16392-16419, 2022; PubMed: 36450011; DOI: 10.1021/acs.jmedchem.2c01257

Experimental method

X-RAY DIFFRACTION (1.5 Å)