9R0X

Crystal structure of NDM-1 with thiol compound 14a

This is a non-PDB format compatible entry.

Summary for 9R0X

• Entry DOI: 10.2210/pdb9r0x/pdb
• Descriptor: Metallo-beta-lactamase type 2, ZINC ION, SULFATE ION, ... (6 entities in total)
• Functional Keywords: inhibitor, thiol, antimicrobial resistance, metall-beta-lactamase, antimicrobial protein
• Biological source: Klebsiella pneumoniae
• Total number of polymer chains: 2
• Total formula weight: 52983.15

Authors

Hinchliffe, P.,Spencer, J. (deposition date: 2025-04-24, release date: 2025-07-09)

• Primary citation: Kavas, V.,Hinchliffe, P.,Zorman, M.,Krajnc, A.,Proj, M.,Golob, M.,Rambaher, M.H.,Spencer, J.,Gobec, S.; Repurposing of compound libraries yields new inhibitors of NDM-1 metallo-beta-lactamase with diverse zinc-binding moieties; Eur J Med Chem Rep, 15:100282-, 2025; DOI: 10.1016/j.ejmcr.2025.100282

Experimental method

X-RAY DIFFRACTION (1.13 Å)