5IE1

Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide

Summary for 5IE1

Entry DOI	10.2210/pdb5ie1/pdb
Descriptor	Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
Functional Keywords	aspartic protease, alzheimer's disease, app, amyloid precursor protein, hydrolase
Biological source	Homo sapiens (Human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	1
Total formula weight	46903.78
Authors	Jordan, J.B.,Whittington, D.A.,Bartberger, M.D.,Sickmier, E.A.,Chen, K.,Cheng, Y.,Judd, T. (deposition date: 2016-02-24, release date: 2016-03-30, Last modification date: 2024-04-03)
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: 26978477 DOI: 10.1021/acs.jmedchem.5b01917 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.298 Å)

Structure validation