5A5Z
Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat Multidrug-Resistant Bacteria
Summary for 5A5Z
| Entry DOI | 10.2210/pdb5a5z/pdb |
| Descriptor | BETA-LACTAMASE NDM-1, ZINC ION, TIOPRONIN, ... (4 entities in total) |
| Functional Keywords | hydrolase, metallo-beta-lactamase, ndm-1, new delhi metallo- beta-lactamase 1, tiopronin |
| Biological source | KLEBSIELLA PNEUMONIAE |
| Total number of polymer chains | 2 |
| Total formula weight | 54256.37 |
| Authors | Klingler, F.M.,Wichelhaus, T.A.,Frank, D.,Cuesta-Bernal, J.,El-Delik, J.,Mueller, H.F.,Sjuts, H.,Goettig, S.,Koenigs, A.,Pogoryelov, D.,Proschak, E. (deposition date: 2015-06-23, release date: 2015-07-08, Last modification date: 2024-01-10) |
| Primary citation | Klingler, F.M.,Wichelhaus, T.A.,Frank, D.,Cuesta-Bernal, J.,El-Delik, J.,Muller, H.F.,Sjuts, H.,Gottig, S.,Koenigs, A.,Pos, K.M.,Pogoryelov, D.,Proschak, E. Approved Drugs Containing Thiols as Inhibitors of Metallo-beta-lactamases: Strategy To Combat Multidrug-Resistant Bacteria. J. Med. Chem., 58:3626-3630, 2015 Cited by PubMed Abstract: Resistance to β-lactam antibiotics can be mediated by metallo-β-lactamase enzymes (MBLs). An MBL inhibitor could restore the effectiveness of β-lactams. We report on the evaluation of approved thiol-containing drugs as inhibitors of NDM-1, VIM-1, and IMP-7. Drugs were assessed by a novel assay using a purchasable fluorescent substrate and thermal shift. Best compounds were tested in antimicrobial susceptibility assay. Using these orthogonal screening methods, we identified drugs that restored the activity of imipenem. PubMed: 25815530DOI: 10.1021/jm501844d PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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