2vj7

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[[Image:2vj7.png|left|200px]]
 
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{{STRUCTURE_2vj7| PDB=2vj7 | SCENE= }}
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==Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide==
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<StructureSection load='2vj7' size='340' side='right'caption='[[2vj7]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vj7]] 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=2VJ7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VJ7 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]] 1.6&#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=VG6:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE'>VG6</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=2vj7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vj7 OCA], [https://pdbe.org/2vj7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vj7 RCSB], [https://www.ebi.ac.uk/pdbsum/2vj7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vj7 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/vj/2vj7_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=2vj7 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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This paper describes the discovery of non-peptidic, potent, and selective hydroxy ethylamine (HEA) inhibitors of BACE-1 by replacement of the prime side of a lead di-amide 2. Inhibitors with nanosmolar potency and high selectivity were identified. Depending on the nature of the P(1)(') and P(2)(') substituents, two different binding modes were observed in X-ray co-crystal structures.
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===HUMAN BACE-1 IN COMPLEX WITH 3-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL) METHYL)AMINO)PROPYL)-5-(2-OXO-1-PYRROLIDINYL)BENZAMIDE===
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BACE-1 inhibitors part 2: identification of hydroxy ethylamines (HEAs) with reduced peptidic character.,Clarke B, Demont E, Dingwall C, Dunsdon R, Faller A, Hawkins J, Hussain I, MacPherson D, Maile G, Matico R, Milner P, Mosley J, Naylor A, O'Brien A, Redshaw S, Riddell D, Rowland P, Soleil V, Smith KJ, Stanway S, Stemp G, Sweitzer S, Theobald P, Vesey D, Walter DS, Ward J, Wayne G Bioorg Med Chem Lett. 2008 Feb 1;18(3):1017-21. Epub 2007 Dec 15. PMID:18166458<ref>PMID:18166458</ref>
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{{ABSTRACT_PUBMED_18166458}}
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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 2vj7" style="background-color:#fffaf0;"></div>
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[[2vj7]] 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=2VJ7 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:018166458</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: Brien, A O.]]
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[[Category: Clarke B]]
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[[Category: Clarke, B.]]
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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: Faller A]]
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[[Category: Faller, A.]]
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[[Category: Hawkins J]]
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[[Category: Hawkins, J.]]
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[[Category: Hussain I]]
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[[Category: Hussain, I.]]
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[[Category: MacPherson D]]
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[[Category: Macpherson, D.]]
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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: Milner P]]
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[[Category: Milner, P.]]
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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: Riddell, D.]]
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[[Category: Riddell D]]
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[[Category: Rowland, P.]]
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[[Category: Rowland P]]
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[[Category: Smith, K.]]
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[[Category: Smith K]]
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[[Category: Soleil, V.]]
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[[Category: Soleil V]]
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[[Category: Stanway, S.]]
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[[Category: Stanway S]]
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[[Category: Stemp, G.]]
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[[Category: Stemp G]]
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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: Ward, J.]]
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[[Category: Ward J]]
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[[Category: Wayne, G.]]
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[[Category: Wayne G]]
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[[Category: Asp-2]]
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[[Category: Aspartyl protease]]
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[[Category: Bace-1]]
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[[Category: Beta-secretase]]
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[[Category: Beta-site app cleaving enzyme]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Memapsin-2]]
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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

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

PDB ID 2vj7

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Proteopedia Page Contributors and Editors (what is this?)

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