6M08

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

Summary for 6M08

Entry DOI	10.2210/pdb6m08/pdb
Descriptor	Platelet-activating factor acetylhydrolase, (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)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	85067.71
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 Cited by PubMed: 32459096 DOI: 10.1021/acs.jmedchem.0c00372 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.19 Å)

Structure validation