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: 20880704 DOI: 10.1016/j.bmcl.2010.09.029 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation