3LPK

Structure of BACE Bound to SCH747123

Summary for 3LPK

• Entry DOI: 10.2210/pdb3lpk/pdb
• Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide, ... (4 entities in total)
• Functional Keywords: alzheimer's, aspartyl protease, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 2
• Total formula weight: 102110.74

Authors

Strickland, C.,Cumming, J. (deposition date: 2010-02-05, release date: 2010-04-14, Last modification date: 2017-11-01)

• Primary citation: Cumming, J.,Babu, S.,Huang, Y.,Carrol, C.,Chen, X.,Favreau, L.,Greenlee, W.,Guo, T.,Kennedy, M.,Kuvelkar, R.,Le, T.,Li, G.,McHugh, N.,Orth, P.,Ozgur, L.,Parker, E.,Saionz, K.,Stamford, A.,Strickland, C.,Tadesse, D.,Voigt, J.,Zhang, L.,Zhang, Q.; Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.; Bioorg.Med.Chem.Lett., 20:2837-2842, 2010; PubMed: 20347593; DOI: 10.1016/j.bmcl.2010.03.050

Experimental method

X-RAY DIFFRACTION (1.93 Å)