4DE2

CTX-M-9 class A beta-lactamase complexed with compound 12

Summary for 4DE2

Entry DOI	10.2210/pdb4de2/pdb
Related	3G2Y 3G2Z 3G30 3G31 3G32 3G35 4DDS 4DDY 4DE0 4DE1 4DE3
Descriptor	Beta-lactamase, 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	ctx-m, molecular docking, fragment, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Escherichia coli
Total number of polymer chains	2
Total formula weight	57356.65
Authors	Nichols, D.A.,Chen, Y. (deposition date: 2012-01-19, release date: 2012-03-28, Last modification date: 2023-09-13)
Primary citation	Nichols, D.A.,Jaishankar, P.,Larson, W.,Smith, E.,Liu, G.,Beyrouthy, R.,Bonnet, R.,Renslo, A.R.,Chen, Y. Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55:2163-2172, 2012 Cited by PubMed: 22296601 DOI: 10.1021/jm2014138 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation