5I3X
Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6
Summary for 5I3X
Entry DOI | 10.2210/pdb5i3x/pdb |
Related | 5I3V 5I3W 5I3Y |
Descriptor | Beta-secretase 1, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide, GLYCEROL, ... (4 entities in total) |
Functional Keywords | aspartic protease, alzheimer's disease, app, amyloid precursor protein, 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 | 46505.27 |
Authors | Whittington, D.A.,Long, A.M. (deposition date: 2016-02-11, release date: 2016-03-30, Last modification date: 2023-09-27) |
Primary citation | Jordan, J.B.,Whittington, D.A.,Bartberger, M.D.,Sickmier, E.A.,Chen, K.,Cheng, Y.,Judd, T. Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59:3732-3749, 2016 Cited by PubMed: 26978477DOI: 10.1021/acs.jmedchem.5b01917 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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