Structure Report for: 5I8P

Liu, Q.F., Chen, X.D., Chen, W.Y., Yuan, X.J., Su, H.X., Shen, J.H., Xu, Y.C.

Title: Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors
Liu Q, Chen X, Chen W, Yuan X, Su H, Shen J, Xu Y
Ref: Journal of Medicinal Chemistry, 59:5115, 2016 : PubMed
Abstract


ESTHER: Liu_2016_J.Med.Chem_59_5115
PubMedSearch: Liu 2016 J.Med.Chem 59 5115
PubMedID: 27078579
Gene_locus related to this paper: human-PLA2G7
Inhibitor(s) related to this paper: CHEMBL3792924

Abstract

Lipoprotein-associated phospholipase A2 (Lp-PLA2) represents a promising therapeutic target for atherosclerosis and Alzheimer's disease. Here we reported the first crystal structures of Lp-PLA2 bound with reversible inhibitors and the thermodynamic characterization of complexes. High rigidity of Lp-PLA2 structure and similar binding modes of inhibitors with completely different scaffolds are revealed. It not only provides the molecular basis for inhibitory activity but also sheds light on the essential features of Lp-PLA2 recognition with reversible inhibitors.