4FS4

Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium

Summary for 4FS4

• Entry DOI: 10.2210/pdb4fs4/pdb
• Descriptor: Beta-secretase 1, (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, L(+)-TARTARIC ACID, ... (4 entities in total)
• Functional Keywords: bace1, alzheimers, 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: 2
• Total formula weight: 87798.87

Authors

Strickland, C.,Stamford, A. (deposition date: 2012-06-26, release date: 2012-10-10, Last modification date: 2014-07-23)

• 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 (1.74 Å)