3ixj

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[[Image:3ixj.png|left|200px]]
 
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{{STRUCTURE_3ixj| PDB=3ixj | SCENE= }}
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==Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor==
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<StructureSection load='3ixj' size='340' side='right'caption='[[3ixj]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3ixj]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IXJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IXJ FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=586:N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N-(1-PHENYLETHYL)-ISOPHTHALAMIDE'>586</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3ixj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ixj OCA], [https://pdbe.org/3ixj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ixj RCSB], [https://www.ebi.ac.uk/pdbsum/3ixj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ixj ProSAT]</span></td></tr>
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</table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ix/3ixj_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3ixj ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Highly potent BACE-1 protease inhibitors have been developed from an inhibitors containing a hydroxyethylene (HE) core displaying aryloxymethyl or benzyloxymethyl P1 side chain and a methoxy P1' side chain. The target molecules were synthesized in good overall yields from chiral carbohydrate starting materials. The inhibitors show high BACE-1 potency and good selectivity against cathepsin D, where the most potent inhibitor furnishes BACE-1 K(i) &lt;&lt; 1 nM and displays &gt;1000-fold selectivity over cathepsin D.
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===Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor===
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Design and synthesis of potent and selective BACE-1 inhibitors.,Bjorklund C, Oscarson S, Benkestock K, Borkakoti N, Jansson K, Lindberg J, Vrang L, Hallberg A, Rosenquist A, Samuelsson B J Med Chem. 2010 Feb 25;53(4):1458-64. PMID:20128595<ref>PMID:20128595</ref>
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{{ABSTRACT_PUBMED_20128595}}
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==About this Structure==
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<div class="pdbe-citations 3ixj" style="background-color:#fffaf0;"></div>
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[[3ixj]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IXJ OCA].
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==See Also==
==See Also==
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*[[Beta secretase|Beta secretase]]
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*[[Beta secretase 3D structures|Beta secretase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:020128595</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Memapsin 2]]
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[[Category: Large Structures]]
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[[Category: Borkakoti, N.]]
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[[Category: Borkakoti N]]
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[[Category: Lindberg, J.]]
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[[Category: Lindberg J]]
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[[Category: Nystrom, S.]]
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[[Category: Nystrom S]]
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[[Category: Aspartyl protease]]
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[[Category: Bace]]
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[[Category: Beta secretase-1]]
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[[Category: Disulfide bond]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Inhibitor]]
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[[Category: Membrane]]
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[[Category: Protease]]
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[[Category: Transmembrane]]
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[[Category: Zymogen]]
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Current revision

Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor

PDB ID 3ixj

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