4I10
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
Summary for 4I10
Entry DOI | 10.2210/pdb4i10/pdb |
Related | 4HZT 4I0Z 4I11 |
Descriptor | Beta-secretase 1, ZINC ION, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, ... (4 entities in total) |
Functional Keywords | aspartic 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 | 46099.30 |
Authors | Lougheed, J.C.,Brecht, E.,Yao, N.H. (deposition date: 2012-11-19, release date: 2013-03-06, Last modification date: 2013-04-24) |
Primary citation | Bowers, S.,Xu, Y.Z.,Yuan, S.,Probst, G.D.,Hom, R.K.,Chan, W.,Konradi, A.W.,Sham, H.L.,Zhu, Y.L.,Beroza, P.,Pan, H.,Brecht, E.,Yao, N.,Lougheed, J.,Tam, D.,Ren, Z.,Ruslim, L.,Bova, M.P.,Artis, D.R. Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23:2181-2186, 2013 Cited by PubMed: 23465612DOI: 10.1016/j.bmcl.2013.01.103 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.07 Å) |
Structure validation
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