4LEN

CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid

Summary for 4LEN

Entry DOI	10.2210/pdb4len/pdb
Descriptor	Beta-lactamase, (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid (3 entities in total)
Functional Keywords	binding sites, structure base drug design, drug discovery, molecular, enzyme inhibitors, beta lactamases, boronic acids, broad spectrum, bacterial resistance, double perturbation cycle analysis, thermodynamics, structure activity relationship, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Escherichia coli
Total number of polymer chains	2
Total formula weight	56441.11
Authors	Tondi, D. (deposition date: 2013-06-26, release date: 2014-06-18, Last modification date: 2023-09-20)
Primary citation	Tondi, D.,Venturelli, A.,Bonnet, R.,Pozzi, C.,Shoichet, B.K.,Costi, M.P. Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative. J.Med.Chem., 57:5449-5458, 2014 Cited by PubMed: 24882105 DOI: 10.1021/jm5006572 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation