5MXQ
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor
Summary for 5MXQ
| Entry DOI | 10.2210/pdb5mxq/pdb |
| Descriptor | Beta-lactamase VIM-2, ZINC ION, 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ... (6 entities in total) |
| Functional Keywords | metallo-beta-lactamase fold, zinc-dependent hydrolase, pfam00753, alpha-beta-beta-alpha sandwich, metallo-beta-lactamase inhibitor, hydrolase |
| Biological source | Pseudomonas aeruginosa |
| Total number of polymer chains | 1 |
| Total formula weight | 25307.49 |
| Authors | Docquier, J.D.,De Luca, F.,Benvenuti, M.,Di Pisa, F.,Pozzi, C.,Mangani, S. (deposition date: 2017-01-24, release date: 2018-02-28, Last modification date: 2024-01-17) |
| Primary citation | Leiris, S.,Coelho, A.,Castandet, J.,Bayet, M.,Lozano, C.,Bougnon, J.,Bousquet, J.,Everett, M.,Lemonnier, M.,Sprynski, N.,Zalacain, M.,Pallin, T.D.,Cramp, M.C.,Jennings, N.,Raphy, G.,Jones, M.W.,Pattipati, R.,Shankar, B.,Sivasubrahmanyam, R.,Soodhagani, A.K.,Juventhala, R.R.,Pottabathini, N.,Pothukanuri, S.,Benvenuti, M.,Pozzi, C.,Mangani, S.,De Luca, F.,Cerboni, G.,Docquier, J.D.,Davies, D.T. SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5:131-140, 2019 Cited by PubMed Abstract: The clinical effectiveness of carbapenem antibiotics such as meropenem is becoming increasingly compromised by the spread of both metallo-β-lactamase (MBL) and serine-β-lactamase (SBL) enzymes on mobile genetic elements, stimulating research to find new β-lactamase inhibitors to be used in conjunction with carbapenems and other β-lactam antibiotics. Herein, we describe our initial exploration of a novel chemical series of metallo-β-lactamase inhibitors, from concept to efficacy, in a survival model using an advanced tool compound (ANT431) in conjunction with meropenem. PubMed: 30427656DOI: 10.1021/acsinfecdis.8b00246 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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