3KMY

Structure of BACE bound to SCH12472

Summary for 3KMY

Entry DOI	10.2210/pdb3kmy/pdb
Related	3KMX 3KN0
Descriptor	Beta-secretase 1, 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine (3 entities in total)
Functional Keywords	bace1, alzheimer's, alternative splicing, aspartyl protease, disulfide bond, endoplasmic reticulum, endosome, glycoprotein, golgi apparatus, hydrolase, membrane, polymorphism, protease, transmembrane, zymogen
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	2
Total formula weight	88512.68
Authors	Strickland, C.,Wang, Y. (deposition date: 2009-11-11, release date: 2010-01-19, Last modification date: 2023-09-06)
Primary citation	Wang, Y.S.,Strickland, C.,Voigt, J.H.,Kennedy, M.E.,Beyer, B.M.,Senior, M.M.,Smith, E.M.,Nechuta, T.L.,Madison, V.S.,Czarniecki, M.,McKittrick, B.A.,Stamford, A.W.,Parker, E.M.,Hunter, J.C.,Greenlee, W.J.,Wyss, D.F. Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors. J.Med.Chem., 53:942-950, 2010 Cited by PubMed: 20043700 DOI: 10.1021/jm901472u PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation