6LJ5

Crystal structure of NDM-1 in complex with D-captopril derivative wss04145

Summary for 6LJ5

• Entry DOI: 10.2210/pdb6lj5/pdb
• Related: 5ZJ2 6LIP 6LIZ 6LJ0 6LJ1 6LJ2 6LJ4
• Descriptor: Metallo-beta-lactamase type 2, 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, ... (5 entities in total)
• Functional Keywords: ndm-1, metallo-beta-lactamase, antibiotic resistent, inhibitor, thio compounds, antibiotic, hydrolase
• Biological source: Klebsiella pneumoniae
• Total number of polymer chains: 1
• Total formula weight: 26056.02

Authors

Zhang, H.,Ma, G. (deposition date: 2019-12-13, release date: 2020-12-16, Last modification date: 2023-11-22)

• Primary citation: Ma, G.,Wang, S.,Wu, K.,Zhang, W.,Ahmad, A.,Hao, Q.,Lei, X.,Zhang, H.; Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.; Bioorg.Med.Chem., 29:115902-115902, 2020; PubMed: 33302045; DOI: 10.1016/j.bmc.2020.115902

Experimental method

X-RAY DIFFRACTION (1.26 Å)