4DUS

Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide

Summary for 4DUS

• Entry DOI: 10.2210/pdb4dus/pdb
• Related: 3RSV
• Descriptor: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
• Functional Keywords: hydrolase, aspartyl protease, app, 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: 1
• Total formula weight: 47378.58

Authors

Sickmier, E.A. (deposition date: 2012-02-22, release date: 2012-10-10, Last modification date: 2014-07-02)

• Primary citation: Kaller, M.R.,Harried, S.S.,Albrecht, B.,Amarante, P.,Babu-Khan, S.,Bartberger, M.D.,Brown, J.,Brown, R.,Chen, K.,Cheng, Y.,Citron, M.,Croghan, M.D.,Graceffa, R.,Hickman, D.,Judd, T.,Kriemen, C.,La, D.,Li, V.,Lopez, P.,Luo, Y.,Masse, C.,Monenschein, H.,Nguyen, T.,Pennington, L.D.,Miguel, T.S.,Sickmier, E.A.,Wahl, R.C.,Weiss, M.M.,Wen, P.H.,Williamson, T.,Wood, S.,Xue, M.,Yang, B.,Zhang, J.,Patel, V.,Zhong, W.,Hitchcock, S.; A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.; ACS Med Chem Lett, 3:886-891, 2012; PubMed: 24900403; DOI: 10.1021/ml3000148

Experimental method

X-RAY DIFFRACTION (2.5 Å)