3U6A

Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors

Summary for 3U6A

Entry DOI	10.2210/pdb3u6a/pdb
Descriptor	Beta-secretase 1, N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	beta-site app cleaving enzyme 1, 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	3
Total formula weight	132131.68
Authors	Spurlino, J.C.,Alexander, R.S. (deposition date: 2011-10-12, release date: 2011-11-09, Last modification date: 2013-09-04)
Primary citation	Tresadern, G.,Delgado, F.,Delgado, O.,Gijsen, H.,Macdonald, G.J.,Moechars, D.,Rombouts, F.,Alexander, R.,Spurlino, J.,Van Gool, M.,Vega, J.A.,Trabanco, A.A. Rational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors. Bioorg.Med.Chem.Lett., 21:7255-7260, 2011 Cited by PubMed: 22071305 DOI: 10.1016/j.bmcl.2011.10.050 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.199 Å)

Structure validation