8R5T

Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.

Summary for 8R5T

Entry DOI	10.2210/pdb8r5t/pdb
Descriptor	Metallo-beta-lactamase type 2, [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol, ZINC ION, ... (5 entities in total)
Functional Keywords	metallo-beta-lactamase, inhibitor, antimicrobial protein
Biological source	Klebsiella pneumoniae
Total number of polymer chains	2
Total formula weight	52230.01
Authors	Hinchliffe, P.,Spencer, J. (deposition date: 2023-11-17, release date: 2024-04-10)
Primary citation	Villamil, V.,Rossi, M.A.,Mojica, M.F.,Hinchliffe, P.,Martinez, V.,Castillo, V.,Saiz, C.,Banchio, C.,Macias, M.A.,Spencer, J.,Bonomo, R.A.,Vila, A.,Moreno, D.M.,Mahler, G. Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes. J.Med.Chem., 67:3795-3812, 2024 Cited by PubMed: 38373290 DOI: 10.1021/acs.jmedchem.3c02209 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.58 Å)

Structure validation