4YBI

Crystal structure of BACE with amino thiazine inhibitor LY2811376

Summary for 4YBI

• Entry DOI: 10.2210/pdb4ybi/pdb
• Related: 4X7I
• Descriptor: Beta-secretase 1, (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, GLYCEROL, ... (4 entities in total)
• Functional Keywords: inhibitor, complex, aspartyl, protease, beta-secretase, 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: 2
• Total formula weight: 98949.33

Authors

Timm, D.E. (deposition date: 2015-02-18, release date: 2015-04-01)

• Primary citation: May, P.C.,Dean, R.A.,Lowe, S.L.,Martenyi, F.,Sheehan, S.M.,Boggs, L.N.,Monk, S.A.,Mathes, B.M.,Mergott, D.J.,Watson, B.M.,Stout, S.L.,Timm, D.E.,Smith Labell, E.,Gonzales, C.R.,Nakano, M.,Jhee, S.S.,Yen, M.,Ereshefsky, L.,Lindstrom, T.D.,Calligaro, D.O.,Cocke, P.J.,Greg Hall, D.,Friedrich, S.,Citron, M.,Audia, J.E.; Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.; J.Neurosci., 31:16507-16516, 2011; PubMed: 22090477; DOI: 10.1523/JNEUROSCI.3647-11.2011

Experimental method

X-RAY DIFFRACTION (1.84 Å)