3IXK
Potent beta-secretase 1 inhibitor
Summary for 3IXK
Entry DOI | 10.2210/pdb3ixk/pdb |
Descriptor | Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (3 entities in total) |
Functional Keywords | bace, beta-secretase, statine, inhibitor, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, zymogen, disulfide bond |
Biological source | Homo sapiens (human) |
Cellular location | Membrane; Single-pass type I membrane protein: P56817 |
Total number of polymer chains | 3 |
Total formula weight | 138344.61 |
Authors | Borkakoti, N.,Lindberg, J.D.,Nystrom, S. (deposition date: 2009-09-04, release date: 2010-09-08, Last modification date: 2023-09-06) |
Primary citation | Wangsell, F.,Gustafsson, K.,Kvarnstrom, I.,Borkakoti, N.,Edlund, M.,Jansson, K.,Lindberg, J.,Hallberg, A.,Rosenquist, A.,Samuelsson, B. Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core. Eur.J.Med.Chem., 45:870-882, 2010 Cited by PubMed: 20036448DOI: 10.1016/j.ejmech.2009.11.013 PDB entries with the same primary citation |
Experimental method |
Structure validation
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