3bra: Difference between revisions
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'''BACE-1 complexed with compound 1''' | '''BACE-1 complexed with compound 1''' | ||
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[[Category: Hennig, M.]] | [[Category: Hennig, M.]] | ||
[[Category: Kuglstatter, A.]] | [[Category: Kuglstatter, A.]] | ||
[[Category: | [[Category: Alternative splicing]] | ||
[[Category: | [[Category: Alzheimer's disease]] | ||
[[Category: | [[Category: Aspartic protease]] | ||
[[Category: | [[Category: Aspartyl protease]] | ||
[[Category: | [[Category: Beta-secretase]] | ||
[[Category: | [[Category: Fragment screen]] | ||
[[Category: | [[Category: Glycoprotein]] | ||
[[Category: | [[Category: Hydrolase]] | ||
[[Category: | [[Category: Memapsin 2]] | ||
[[Category: | [[Category: Membrane]] | ||
[[Category: | [[Category: Transmembrane]] | ||
[[Category: | [[Category: Zymogen]] | ||
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Revision as of 18:01, 4 May 2008
BACE-1 complexed with compound 1
Overview
Fragment screening revealed that tyramine binds to the active site of the Alzheimer's disease drug target BACE-1. Hit expansion by selection of compounds from the Roche compound library identified tyramine derivatives with improved binding affinities as monitored by surface plasmon resonance. X-ray structures show that the amine of the tyramine fragment hydrogen-bonds to the catalytic water molecule. Structure-guided ligand design led to the synthesis of further low molecular weight compounds that are starting points for chemical leads.
About this Structure
3BRA is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Tyramine fragment binding to BACE-1., Kuglstatter A, Stahl M, Peters JU, Huber W, Stihle M, Schlatter D, Benz J, Ruf A, Roth D, Enderle T, Hennig M, Bioorg Med Chem Lett. 2008 Feb 15;18(4):1304-7. Epub 2008 Jan 11. PMID:18226904 Page seeded by OCA on Sun May 4 21:01:52 2008
