9C5P

Inhibitor bound VIM1

This is a non-PDB format compatible entry.

Summary for 9C5P

• Entry DOI: 10.2210/pdb9c5p/pdb
• Descriptor: Metallo-beta-lactamase type 2, MAGNESIUM ION, ZINC ION, ... (5 entities in total)
• Functional Keywords: hydrolase
• Biological source: Pseudomonas aeruginosa
• Total number of polymer chains: 1
• Total formula weight: 26752.68

Authors

Fischmann, T.O.,Scapin, G. (deposition date: 2024-06-06, release date: 2024-10-16, Last modification date: 2024-10-30)

Primary citation

Bennett, F.,Huang, Y.,Dong, S.,Jiang, J.,Hunter, D.,Zhao, Z.,Gu, X.,Scott, J.D.,Tang, H.,Yang, D.,Xiao, L.,Scapin, G.,Fischmann, T.,Mirza, A.,Dayananth, P.,Painter, R.E.,Villafania, A.,Garlisi, C.G.,Zhang, R.,Mayhood, T.W.,Si, Q.,Li, N.,Amin, R.P.,Chen, F.,Bhatt, B.,Regan, C.P.,Regan, H.,Lin, X.,Wu, J.,Leithead, A.,Young, K.,Pasternak, A.
Discovery of sulfone containing metallo-beta-lactamase inhibitors with reduced bacterial cell efflux and histamine release issues.
Bioorg.Med.Chem.Lett., 114:129989-129989, 2024

PubMed Abstract: The design, syntheses and antibacterial evaluation of sulfone analogues of previously disclosed metallo-β-lactamase inhibitors (MBLis) are described. The novel derivatives were overall more effective in gram-negative bacterial cell-based assays when combined with imipenem and relebactam. The major contributors to the improved anti-bacterial activity are enhanced enzyme-inhibitor interactions and reduced bacterial cell efflux monitored via an efflux assay involving isogenic Pseudomonas aeruginosa efflux + and efflux - tool strains.

PubMed: 39396683
DOI: 10.1016/j.bmcl.2024.129989

Experimental method

X-RAY DIFFRACTION (1.15 Å)