8PTQ

COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l

Summary for 8PTQ

• Entry DOI: 10.2210/pdb8ptq/pdb
• Related: 8PTC
• Descriptor: Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: alpha/beta hydrolase, hydrolase, serine esterase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 36000.09

Authors

Butini, S.,Grether, U.,Benz, J.,Leibrock, L.,Maramai, S.,Papa, A.,Carullo, G.,Federico, S.,Grillo, A.,Di Guglielmo, B.,Lamponi, S.,Gemma, S.,Campiani, G. (deposition date: 2023-07-14, release date: 2024-01-31, Last modification date: 2024-02-21)

• Primary citation: Butini, S.,Grether, U.,Jung, K.M.,Ligresti, A.,Allara, M.,Postmus, A.G.J.,Maramai, S.,Brogi, S.,Papa, A.,Carullo, G.,Sykes, D.,Veprintsev, D.,Federico, S.,Grillo, A.,Di Guglielmo, B.,Ramunno, A.,Stevens, A.F.,Heer, D.,Lamponi, S.,Gemma, S.,Benz, J.,Di Marzo, V.,van der Stelt, M.,Piomelli, D.,Campiani, G.; Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.; J.Med.Chem., 67:1758-1782, 2024; PubMed: 38241614; DOI: 10.1021/acs.jmedchem.3c01278

Experimental method

X-RAY DIFFRACTION (1.55 Å)