6M07

Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor

Summary for 6M07

• Entry DOI: 10.2210/pdb6m07/pdb
• Descriptor: Platelet-activating factor acetylhydrolase, (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid (3 entities in total)
• Functional Keywords: lp-pla2, covalent inhibitor, complex structure, serine phospholipase., hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 85366.93

Authors

Hu, H.C.,Xu, Y.C. (deposition date: 2020-02-20, release date: 2020-12-30, Last modification date: 2023-11-29)

• Primary citation: Huang, F.,Hu, H.,Wang, K.,Peng, C.,Xu, W.,Zhang, Y.,Gao, J.,Liu, Y.,Zhou, H.,Huang, R.,Li, M.,Shen, J.,Xu, Y.; Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.; J.Med.Chem., 63:7052-7065, 2020; PubMed: 32459096; DOI: 10.1021/acs.jmedchem.0c00372

Experimental method

X-RAY DIFFRACTION (2.64 Å)