2IQG

Crystal Structure of Hydroxyethyl Secondary Amine-based Peptidomimetic Inhibitor of Human Beta-Secretase (BACE)

Summary for 2IQG

Entry DOI	10.2210/pdb2iqg/pdb
Descriptor	Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE (3 entities in total)
Functional Keywords	protein-inhibitor complex, 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	46122.68
Authors	Benson, T.E.,Woods, D.D.,Prince, D.B.,Tomasselli, A.G.,Emmons, T.L. (deposition date: 2006-10-13, release date: 2007-02-27, Last modification date: 2017-10-18)
Primary citation	Maillard, M.C.,Hom, R.K.,Benson, T.E.,Moon, J.B.,Mamo, S.,Bienkowski, M.,Tomasselli, A.G.,Woods, D.D.,Prince, D.B.,Paddock, D.J.,Emmons, T.L.,Tucker, J.A.,Dappen, M.S.,Brogley, L.,Thorsett, E.D.,Jewett, N.,Sinha, S.,John, V. Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase. J.Med.Chem., 50:776-781, 2007 Cited by PubMed: 17300163 DOI: 10.1021/jm061242y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation