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 Cited by PubMed: 22468639DOI: 10.1021/jm300119p PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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