3OOZ
Bace1 in complex with the aminohydantoin Compound 102
Summary for 3OOZ
Entry DOI | 10.2210/pdb3ooz/pdb |
Descriptor | Beta-secretase 1, (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one (3 entities in total) |
Functional Keywords | inhibitor, beta-secretase, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 1 |
Total formula weight | 46874.38 |
Authors | Olland, A.M. (deposition date: 2010-08-31, release date: 2011-08-31, Last modification date: 2023-09-06) |
Primary citation | Malamas, M.S.,Robichaud, A.,Erdei, J.,Quagliato, D.,Solvibile, W.,Zhou, P.,Morris, K.,Turner, J.,Wagner, E.,Fan, K.,Olland, A.,Jacobsen, S.,Reinhart, P.,Riddell, D.,Pangalos, M. Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20:6597-6605, 2010 Cited by PubMed: 20880704DOI: 10.1016/j.bmcl.2010.09.029 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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