2is0

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[[Image:2is0.gif|left|200px]]
[[Image:2is0.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2is0 |SIZE=350|CAPTION= <scene name='initialview01'>2is0</scene>, resolution 2.20&Aring;
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The line below this paragraph, containing "STRUCTURE_2is0", 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=I03:(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL+3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE'>I03</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_2is0| PDB=2is0 | SCENE= }}
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|RELATEDENTRY=[[1tqf|1TQF]], [[2b8v|2B8V]], [[2irz|2IRZ]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2is0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2is0 OCA], [http://www.ebi.ac.uk/pdbsum/2is0 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2is0 RCSB]</span>
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}}
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'''Crystal structure of human Beta-secretase complexed with inhibitor'''
'''Crystal structure of human Beta-secretase complexed with inhibitor'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Munshi, S.]]
[[Category: Munshi, S.]]
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[[Category: aspartyl protease]]
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[[Category: Aspartyl protease]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 07:47:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:47:43 2008''
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Revision as of 04:47, 4 May 2008

Image:2is0.gif

Template:STRUCTURE 2is0

Crystal structure of human Beta-secretase complexed with inhibitor


Overview

We describe the discovery and optimization of tertiary carbinamine derived inhibitors of the enzyme beta-secretase (BACE-1). These novel non-transition-state-derived ligands incorporate a single primary amine to interact with the catalytic aspartates of the target enzyme. Optimization of this series provided inhibitors with intrinsic and functional potency comparable to evolved transition state isostere derived inhibitors of BACE-1.

About this Structure

2IS0 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1)., Rajapakse HA, Nantermet PG, Selnick HG, Munshi S, McGaughey GB, Lindsley SR, Young MB, Lai MT, Espeseth AS, Shi XP, Colussi D, Pietrak B, Crouthamel MC, Tugusheva K, Huang Q, Xu M, Simon AJ, Kuo L, Hazuda DJ, Graham S, Vacca JP, J Med Chem. 2006 Dec 14;49(25):7270-3. PMID:17149856 Page seeded by OCA on Sun May 4 07:47:50 2008

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OCA

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