6AX1

Structure of human monoacylglycerol lipase bound to a covalent inhibitor

Summary for 6AX1

• Entry DOI: 10.2210/pdb6ax1/pdb
• Descriptor: Monoglyceride lipase, 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, ... (4 entities in total)
• Functional Keywords: monoacylglycerol lipase, covalent inhibitor, sbdd, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm, cytosol : Q99685
• Total number of polymer chains: 2
• Total formula weight: 77584.17

Authors

Pandit, J. (deposition date: 2017-09-06, release date: 2017-12-27)

• Primary citation: Butler, C.R.,Beck, E.M.,Harris, A.,Huang, Z.,McAllister, L.A.,Am Ende, C.W.,Fennell, K.,Foley, T.L.,Fonseca, K.,Hawrylik, S.J.,Johnson, D.S.,Knafels, J.D.,Mente, S.,Noell, G.S.,Pandit, J.,Phillips, T.B.,Piro, J.R.,Rogers, B.N.,Samad, T.A.,Wang, J.,Wan, S.,Brodney, M.A.; Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.; J. Med. Chem., 60:9860-9873, 2017; PubMed: 29148769; DOI: 10.1021/acs.jmedchem.7b01531

Experimental method

X-RAY DIFFRACTION (2.26 Å)