4FM7
Crystal Structure of BACE with Compound 14g
Summary for 4FM7
Entry DOI | 10.2210/pdb4fm7/pdb |
Descriptor | Beta-secretase 1, 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, ZINC ION, ... (4 entities in total) |
Functional Keywords | aspartyl 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 | 45765.14 |
Authors | Vajdos, F.F.,Varghese, A.H. (deposition date: 2012-06-15, release date: 2012-10-03, Last modification date: 2013-06-19) |
Primary citation | Brodney, M.A.,Barreiro, G.,Ogilvie, K.,Hajos-Korcsok, E.,Murray, J.,Vajdos, F.,Ambroise, C.,Christoffersen, C.,Fisher, K.,Lanyon, L.,Liu, J.,Nolan, C.E.,Withka, J.M.,Borzilleri, K.A.,Efremov, I.,Oborski, C.E.,Varghese, A.,O'Neill, B.T. Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55:9224-9239, 2012 Cited by PubMed: 22984865DOI: 10.1021/jm3009426 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.56 Å) |
Structure validation
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