4PV5

Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid

Summary for 4PV5

• Entry DOI: 10.2210/pdb4pv5/pdb
• Descriptor: Lactoylglutathione lyase, ZINC ION, (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, ... (4 entities in total)
• Functional Keywords: lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Mus musculus (mouse)
• Total number of polymer chains: 2
• Total formula weight: 42010.28

Authors

Zhang, H.,Zhai, J.,Zhang, L.P.,Zhao, Y.N.,Li, C.,Hu, X.P. (deposition date: 2014-03-15, release date: 2015-03-18, Last modification date: 2023-11-08)

Primary citation

Zhang, H.,Huang, Q.,Zhai, J.,Zhao, Y.N.,Zhang, L.P.,Chen, Y.Y.,Zhang, R.W.,Li, Q.,Hu, X.P.
Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor
Acta Pharmacol.Sin., 36:1145-1150, 2015

PubMed Abstract: Glyoxalase I (GLOI), a glutathione (GSH)-dependent enzyme, is overexpressed in tumor cells and related to multi-drug resistance in chemotherapy, making GLOI inhibitors as potential anti-tumor agents. But the most studied GSH analogs exhibit poor pharmacokinetic properties. The aim of this study was to discover novel non-GSH analog GLOI inhibitors and analyze their binding mechanisms.

PubMed: 26279158
DOI: 10.1038/aps.2015.59

Experimental method

X-RAY DIFFRACTION (2.3 Å)