3NSH

BACE-1 in complex with ELN475957

Summary for 3NSH

• Entry DOI: 10.2210/pdb3nsh/pdb
• Related: 3N4L
• Descriptor: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide (3 entities in total)
• Functional Keywords: membrane-associated aspartic protease 2, memapsin-2, aspartyl protease 2, asp 2, asp2, beta-site amyloid precursor protein cleaving enzyme 1, beta-site app cleaving enzyme 1, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P56817
• Total number of polymer chains: 3
• Total formula weight: 137687.12

Authors

Probst, G.D.,Bowers, S.,Sealy, J.M.,Brecht, E.,Yao, N. (deposition date: 2010-07-01, release date: 2010-09-22, Last modification date: 2023-12-27)

• Primary citation: Probst, G.D.,Bowers, S.,Sealy, J.M.,Stupi, B.,Dressen, D.,Jagodzinska, B.M.,Aquino, J.,Gailunas, A.,Truong, A.P.,Tso, L.,Xu, Y.Z.,Hom, R.K.,John, V.,Tung, J.S.,Pleiss, M.A.,Tucker, J.A.,Konradi, A.W.,Sham, H.L.,Jagodzinski, J.,Toth, G.,Brecht, E.,Yao, N.,Pan, H.,Lin, M.,Artis, D.R.,Ruslim, L.,Bova, M.P.,Sinha, S.,Yednock, T.A.,Gauby, S.,Zmolek, W.,Quinn, K.P.,Sauer, J.M.; Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.; Bioorg.Med.Chem.Lett., 20:6034-6039, 2010; PubMed: 20822903; DOI: 10.1016/j.bmcl.2010.08.070

Experimental method

X-RAY DIFFRACTION (2.2 Å)