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6BQ0

Structure of human monoacylglycerol lipase bound to a covalent inhibitor

Summary for 6BQ0
Entry DOI10.2210/pdb6bq0/pdb
DescriptorMonoglyceride 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 Keywordsmonoacylglycerol lipase, covalent inhibitor, sbdd, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm, cytosol : Q99685
Total number of polymer chains2
Total formula weight77286.10
Authors
Pandit, J. (deposition date: 2017-11-27, release date: 2018-03-14, Last modification date: 2023-10-04)
Primary citationMcAllister, 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: 29498843
DOI: 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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