5SYN

Cocrystal structure of the human acyl protein thioesterase 2 with an isoform-selective inhibitor, ML349

Summary for 5SYN

• Entry DOI: 10.2210/pdb5syn/pdb
• Related: 5SYM
• Descriptor: Acyl-protein thioesterase 2, 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: hydrolase, inhibitor, thioesterase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 101250.49

Authors

Stuckey, J.A.,Labby, K.J.,Meagher, J.L.,Won, S.J.,Martin, B.R. (deposition date: 2016-08-11, release date: 2016-10-26, Last modification date: 2023-10-04)

• Primary citation: Won, S.J.,Davda, D.,Labby, K.J.,Hwang, S.Y.,Pricer, R.,Majmudar, J.D.,Armacost, K.A.,Rodriguez, L.A.,Rodriguez, C.L.,Chong, F.S.,Torossian, K.A.,Palakurthi, J.,Hur, E.S.,Meagher, J.L.,Brooks, C.L.,Stuckey, J.A.,Martin, B.R.; Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).; ACS Chem. Biol., 11:3374-3382, 2016; PubMed: 27748579; DOI: 10.1021/acschembio.6b00720

Experimental method

X-RAY DIFFRACTION (1.64 Å)