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1xs7

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[[Image:1xs7.gif|left|200px]]
[[Image:1xs7.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1xs7 |SIZE=350|CAPTION= <scene name='initialview01'>1xs7</scene>, resolution 2.8&Aring;
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The line below this paragraph, containing "STRUCTURE_1xs7", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=MMI:N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4-ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE'>MMI</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_1xs7| PDB=1xs7 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1xs7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xs7 OCA], [http://www.ebi.ac.uk/pdbsum/1xs7 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1xs7 RCSB]</span>
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}}
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'''Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).'''
'''Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).'''
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[[Category: Weerasena, V.]]
[[Category: Weerasena, V.]]
[[Category: Xu, X.]]
[[Category: Xu, X.]]
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[[Category: acid protease]]
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[[Category: Acid protease]]
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[[Category: alzheimer's disease]]
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[[Category: Alzheimer's disease]]
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[[Category: asp2]]
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[[Category: Asp2]]
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[[Category: aspartic protease]]
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[[Category: Aspartic protease]]
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[[Category: bace]]
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[[Category: Bace]]
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[[Category: beta secretase]]
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[[Category: Beta secretase]]
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[[Category: crystallography]]
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[[Category: Crystallography]]
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[[Category: drug design]]
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[[Category: Drug design]]
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[[Category: memapsin2]]
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[[Category: Memapsin2]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 15:26:46 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:53:57 2008''
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Revision as of 12:26, 3 May 2008

Image:1xs7.gif

Template:STRUCTURE 1xs7

Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).


Overview

A series of novel macrocyclic amide-urethanes was designed and synthesized based upon the X-ray crystal structure of our lead inhibitor (1, OM99-2 with eight residues) bound to memapsin 2. Ring size and substituent effects have been investigated. Cycloamide-urethanes containing 14- to 16-membered rings exhibited low nanomolar inhibitory potencies against human brain memapsin 2 (beta-secretase).

About this Structure

1XS7 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase)., Ghosh AK, Devasamudram T, Hong L, DeZutter C, Xu X, Weerasena V, Koelsch G, Bilcer G, Tang J, Bioorg Med Chem Lett. 2005 Jan 3;15(1):15-20. PMID:15582402 Page seeded by OCA on Sat May 3 15:26:46 2008

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