6UR3
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Summary for 6UR3
| Entry DOI | 10.2210/pdb6ur3/pdb |
| Descriptor | Beta-lactamase, 2-hydroxyethyl hydrogen phenylboronate, 1,2-ETHANEDIOL, ... (5 entities in total) |
| Functional Keywords | boronic acid inhibitors, drug resistance, antibiotic |
| Biological source | Pseudomonas aeruginosa |
| Total number of polymer chains | 1 |
| Total formula weight | 41349.89 |
| Authors | Scapin, G. (deposition date: 2019-10-22, release date: 2019-10-30, Last modification date: 2024-10-16) |
| Primary citation | Yang, S.W.,Pan, J.,Root, Y.,Scapin, G.,Xiao, L.,Su, J. Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors. Bioorg.Med.Chem.Lett., 30:126795-126795, 2020 Cited by PubMed Abstract: High throughput screening for β-lactamase inhibitors afforded biphenyl hits such as 1. Hit confirmation and X-ray soaking experiments with Pseudomonas Aeruginosa AmpC enzyme led to the identification of an aryl boronic acid-serine complex 4, which was formed from phenyl boronic acid 8 (an impurity in compound 1) and ethylene glycol (the cryoprotectant in the soaking experiment). PubMed: 31759850DOI: 10.1016/j.bmcl.2019.126795 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.423 Å) |
Structure validation
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