4DH6

Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide

Summary for 4DH6

• Entry DOI: 10.2210/pdb4dh6/pdb
• Descriptor: Beta-secretase 1, IODIDE ION, GLYCEROL, ... (5 entities in total)
• Functional Keywords: bace-1, beta-secretase, aspartyl protease, 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: 47575.56

Authors

Sickmier, E.A. (deposition date: 2012-01-27, release date: 2012-04-18, Last modification date: 2013-07-03)

• Primary citation: Weiss, M.M.,Williamson, T.,Babu-Khan, S.,Bartberger, M.D.,Brown, J.,Chen, K.,Cheng, Y.,Citron, M.,Croghan, M.D.,Dineen, T.A.,Esmay, J.,Graceffa, R.F.,Harried, S.S.,Hickman, D.,Hitchcock, S.A.,Horne, D.B.,Huang, H.,Imbeah-Ampiah, R.,Judd, T.,Kaller, M.R.,Kreiman, C.R.,La, D.S.,Li, V.,Lopez, P.,Louie, S.,Monenschein, H.,Nguyen, T.T.,Pennington, L.D.,Rattan, C.,San Miguel, T.,Sickmier, E.A.,Wahl, R.C.,Wen, P.H.,Wood, S.,Xue, Q.,Yang, B.H.,Patel, V.F.,Zhong, W.; Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.; J.Med.Chem., 55:9009-9024, 2012; PubMed: 22468639; DOI: 10.1021/jm300119p

Experimental method

X-RAY DIFFRACTION (2.5 Å)