2g94: Difference between revisions
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'''Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.''' | '''Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.''' | ||
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[[Category: Hong, L.]] | [[Category: Hong, L.]] | ||
[[Category: Tang, J.]] | [[Category: Tang, J.]] | ||
[[Category: | [[Category: Alzheimer's disease]] | ||
[[Category: | [[Category: Asp2]] | ||
[[Category: | [[Category: Aspartic protease]] | ||
[[Category: | [[Category: Bace]] | ||
[[Category: | [[Category: Beta secretase]] | ||
[[Category: | [[Category: Drug design]] | ||
[[Category: | [[Category: Memapsin]] | ||
[[Category: | [[Category: Protease inhibitor]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 04:50:19 2008'' | |||
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Revision as of 01:50, 4 May 2008
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Overview
Structure-based design, synthesis, and X-ray structure of protein-ligand complexes of memapsin 2 are described. The inhibitors are designed specifically to interact with S2- and S3-active site residues to provide selectivity over memapsin 1 and cathepsin D. Inhibitor 6 has exhibited exceedingly potent inhibitory activity against memapsin 2 and selectivity over memapsin 1 (>3800-fold) and cathepsin D (>2500-fold). A protein-ligand crystal structure revealed cooperative interactions in the S2- and S3-active sites of memapsin 2. These interactions may serve as an important guide to design selectivity over memapsin 1 and cathepsin D.
About this Structure
2G94 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors., Ghosh AK, Kumaragurubaran N, Hong L, Lei H, Hussain KA, Liu CF, Devasamudram T, Weerasena V, Turner R, Koelsch G, Bilcer G, Tang J, J Am Chem Soc. 2006 Apr 26;128(16):5310-1. PMID:16620080 Page seeded by OCA on Sun May 4 04:50:19 2008
