8PTR

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

Summary for 8PTR

Entry DOI	10.2210/pdb8ptr/pdb
Related	8PTC
Descriptor	Monoglyceride lipase, (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 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	36227.30
Authors	Butini, S.,Benz, J.,Grether, U.,Leibrock, L.,Papa, A.,Maramai, S.,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 Cited by PubMed: 38241614 DOI: 10.1021/acs.jmedchem.3c01278 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.73 Å)

Structure validation