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4EXG

Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors

Summary for 4EXG
Entry DOI10.2210/pdb4exg/pdb
Related4EWO
DescriptorBeta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide (3 entities in total)
Functional Keywordsbace, beta-secretase, statine, inhibitor, aspartyl protease, glycoprotein, membrane, protease, transmembrane, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein: P56817
Total number of polymer chains1
Total formula weight43480.16
Authors
Borkakoti, N.,Lindberg, J.,Derbyshire, D. (deposition date: 2012-04-30, release date: 2012-10-31)
Primary citationSund, C.,Belda, O.,Borkakoti, N.,Lindberg, J.,Derbyshire, D.,Vrang, L.,Hamelink, E.,Hgren, C.,Woestenenk, E.,Wikstrom, K.,Eneroth, A.,Lindstrom, E.,Kalayanov, G.
Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22:6721-6727, 2012
Cited by
PubMed: 23010268
DOI: 10.1016/j.bmcl.2012.08.097
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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