2xfk

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{{Seed}}
 
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[[Image:2xfk.jpg|left|200px]]
 
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==Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide==
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The line below this paragraph, containing "STRUCTURE_2xfk", creates the "Structure Box" on the page.
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<StructureSection load='2xfk' size='340' side='right'caption='[[2xfk]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2xfk]] is a 1 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=2XFK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XFK FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.8&#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=AA9:N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE'>AA9</scene></td></tr>
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{{STRUCTURE_2xfk| PDB=2xfk | SCENE= }}
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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=2xfk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xfk OCA], [https://pdbe.org/2xfk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xfk RCSB], [https://www.ebi.ac.uk/pdbsum/2xfk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xfk ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref>
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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/xf/2xfk_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=2xfk 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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Inhibition of the aspartyl protease BACE-1 has the potential to deliver a disease-modifying therapy for Alzheimer's disease. Herein, is described a series of potent inhibitors based on an hydroxyethylamine (HEA) transition state mimetic template. These inhibitors interact with the non prime side of the enzyme using a novel edge-to-face interaction with Arg-296.
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===HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE===
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BACE-1 hydroxyethylamine inhibitors using novel edge-to-face interaction with Arg-296.,Clarke B, Cutler L, Demont E, Dingwall C, Dunsdon R, Hawkins J, Howes C, Hussain I, Maile G, Matico R, Mosley J, Naylor A, O'Brien A, Redshaw S, Rowland P, Soleil V, Smith KJ, Sweitzer S, Theobald P, Vesey D, Walter DS, Wayne G Bioorg Med Chem Lett. 2010 Aug 1;20(15):4639-44. Epub 2010 Jun 8. PMID:20579874<ref>PMID:20579874</ref>
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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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<div class="pdbe-citations 2xfk" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_20579874}}, adds the Publication Abstract to the page
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*[[Beta secretase 3D structures|Beta secretase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 20579874 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20579874}}
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__TOC__
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</StructureSection>
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==About this Structure==
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2XFK is a 1 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=2XFK OCA].
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==Reference==
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<ref group="xtra">PMID:20579874</ref><references group="xtra"/>
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[[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: Brien, A O.]]
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[[Category: Clarke B]]
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[[Category: Clarke, B.]]
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[[Category: Cutler L]]
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[[Category: Cutler, L.]]
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[[Category: Demont E]]
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[[Category: Demont, E.]]
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[[Category: Dingwall C]]
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[[Category: Dingwall, C.]]
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[[Category: Dunsdon R]]
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[[Category: Dunsdon, R.]]
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[[Category: Hawkins J]]
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[[Category: Hawkins, J.]]
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[[Category: Howes C]]
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[[Category: Howes, C.]]
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[[Category: Hussain I]]
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[[Category: Hussain, I.]]
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[[Category: Maile G]]
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[[Category: Maile, G.]]
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[[Category: Matico R]]
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[[Category: Matico, R.]]
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[[Category: Mosley J]]
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[[Category: Mosley, J.]]
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[[Category: Naylor A]]
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[[Category: Naylor, A.]]
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[[Category: O'Brien A]]
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[[Category: Redshaw, S.]]
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[[Category: Redshaw S]]
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[[Category: Rowland, P.]]
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[[Category: Rowland P]]
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[[Category: Smith, K J.]]
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[[Category: Smith KJ]]
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[[Category: Soleil, V.]]
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[[Category: Soleil V]]
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[[Category: Sweitzer, S.]]
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[[Category: Sweitzer S]]
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[[Category: Theobald, P.]]
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[[Category: Theobald P]]
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[[Category: Vesey, D.]]
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[[Category: Vesey D]]
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[[Category: Walter, D S.]]
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[[Category: Walter DS]]
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[[Category: Wayne, G.]]
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[[Category: Wayne G]]
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[[Category: Hydrolase]]
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[[Category: Protease]]
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[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 7 08:38:59 2010''
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Current revision

Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide

PDB ID 2xfk

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