5TOL

CRYSTAL STRUCTURE OF BETA-SITE APP-CLEAVING ENZYME 1 COMPLEXED WITH N-(3-((4AS,7AS)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-BROMO-2-PYRIDINECARBOXAMIDE

Summary for 5TOL

Entry DOI	10.2210/pdb5tol/pdb
Descriptor	Beta-secretase 1, N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide (3 entities in total)
Functional Keywords	aspartyl protease, bace1, kiaa1149, asp2, flj90568, bace, hspc104, 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	46374.86
Authors	Muckelbauer, J.K. (deposition date: 2016-10-18, release date: 2016-11-23, Last modification date: 2016-12-07)
Primary citation	Wu, Y.J.,Guernon, J.,Rajamani, R.,Toyn, J.H.,Ahlijanian, M.K.,Albright, C.F.,Muckelbauer, J.,Chang, C.,Camac, D.,Macor, J.E.,Thompson, L.A. Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 26:5729-5731, 2016 Cited by PubMed: 27816517 DOI: 10.1016/j.bmcl.2016.10.055 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.51 Å)

Structure validation