8B1W

NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35

Summary for 8B1W

• Entry DOI: 10.2210/pdb8b1w/pdb
• Descriptor: Beta-lactamase NDM-1, ZINC ION, CALCIUM ION, ... (7 entities in total)
• Functional Keywords: beta-lactamase, antibiotic resistance, beta-lactamase inhibitor, hydrolase
• Biological source: Pseudomonas aeruginosa
• Total number of polymer chains: 2
• Total formula weight: 52812.39

Authors

Vascon, F.,Lazzarato, L.,Bersani, M.,Gianquinto, E.,Docquier, J.D.,Spyrakis, F.,Tondi, D.,Cendron, L. (deposition date: 2022-09-12, release date: 2023-12-27, Last modification date: 2024-03-20)

• Primary citation: Bersani, M.,Failla, M.,Vascon, F.,Gianquinto, E.,Bertarini, L.,Baroni, M.,Cruciani, G.,Verdirosa, F.,Sannio, F.,Docquier, J.D.,Cendron, L.,Spyrakis, F.,Lazzarato, L.,Tondi, D.; Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria.; Pharmaceuticals, 16:-, 2023; PubMed: 38139809; DOI: 10.3390/ph16121682

Experimental method

X-RAY DIFFRACTION (1.7 Å)