6BQ0
Structure of human monoacylglycerol lipase bound to a covalent inhibitor
Summary for 6BQ0
Entry DOI | 10.2210/pdb6bq0/pdb |
Descriptor | Monoglyceride lipase, 1-({(1R,5S,6r)-6-[1-(4-fluorophenyl)-1H-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione (3 entities in total) |
Functional Keywords | monoacylglycerol lipase, covalent inhibitor, sbdd, 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 | 77286.10 |
Authors | Pandit, J. (deposition date: 2017-11-27, release date: 2018-03-14, Last modification date: 2023-10-04) |
Primary citation | McAllister, L.A.,Butler, C.R.,Mente, S.,O'Neil, S.V.,Fonseca, K.R.,Piro, J.R.,Cianfrogna, J.A.,Foley, T.L.,Gilbert, A.M.,Harris, A.R.,Helal, C.J.,Johnson, D.S.,Montgomery, J.I.,Nason, D.M.,Noell, S.,Pandit, J.,Rogers, B.N.,Samad, T.A.,Shaffer, C.L.,da Silva, R.G.,Uccello, D.P.,Webb, D.,Brodney, M.A. Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. J. Med. Chem., 61:3008-3026, 2018 Cited by PubMed: 29498843DOI: 10.1021/acs.jmedchem.8b00070 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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