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 | |
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 Cited by PubMed: 33302045DOI: 10.1016/j.bmc.2020.115902 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.26 Å) |
Structure validation
Download full validation report