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; PubMed: 20036448; DOI: 10.1016/j.ejmech.2009.11.013

Experimental method

X-RAY DIFFRACTION (2.5 Å)