3N4L

BACE-1 in complex with ELN380842

Summary for 3N4L

• Entry DOI: 10.2210/pdb3n4l/pdb
• Descriptor: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide (3 entities in total)
• Functional Keywords: bace, hydroxyethylamine, beta secretase, alzheimer's disease, ad, beta-amyloid precursor protein, beta-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: 3
• Total formula weight: 137783.06

Authors

Yao, N.H. (deposition date: 2010-05-21, release date: 2010-11-24, Last modification date: 2023-09-06)

• Primary citation: Truong, A.P.,Probst, G.D.,Aquino, J.,Fang, L.,Brogley, L.,Sealy, J.M.,Hom, R.K.,Tucker, J.A.,John, V.,Tung, J.S.,Pleiss, M.A.,Konradi, A.W.,Sham, H.L.,Dappen, M.S.,Toth, G.,Yao, N.,Brecht, E.,Pan, H.,Artis, D.R.,Ruslim, L.,Bova, M.P.,Sinha, S.,Yednock, T.A.,Zmolek, W.,Quinn, K.P.,Sauer, J.M.; Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.; Bioorg.Med.Chem.Lett., 20:4789-4794, 2010; PubMed: 20634069; DOI: 10.1016/j.bmcl.2010.06.112

Experimental method

X-RAY DIFFRACTION (2.7 Å)