6BFX
BACE crystal structure with hydroxy pyrrolidine inhibitor
Summary for 6BFX
Entry DOI | 10.2210/pdb6bfx/pdb |
Descriptor | Beta-secretase 1, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide, GLYCEROL, ... (4 entities in total) |
Functional Keywords | bace1, beta-secretase, inhibitor, protease, hydrolase, 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 | 2 |
Total formula weight | 98953.40 |
Authors | Timm, D.E. (deposition date: 2017-10-27, release date: 2017-11-15, Last modification date: 2017-12-27) |
Primary citation | Bueno, A.B.,Agejas, J.,Broughton, H.,Dally, R.,Durham, T.B.,Espinosa, J.F.,Gonzalez, R.,Hahn, P.J.,Marcos, A.,Rodriguez, R.,Sanz, G.,Soriano, J.F.,Timm, D.,Vidal, P.,Yang, H.C.,McCarthy, J.R. Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60:9807-9820, 2017 Cited by PubMed: 29088532DOI: 10.1021/acs.jmedchem.7b01304 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.99 Å) |
Structure validation
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