2vij

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{{Seed}}
 
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[[Image:2vij.png|left|200px]]
 
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==Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide==
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The line below this paragraph, containing "STRUCTURE_2vij", creates the "Structure Box" on the page.
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<StructureSection load='2vij' size='340' side='right'caption='[[2vij]], [[Resolution|resolution]] 1.60&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'>[[2vij]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VIJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VIJ FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C44:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(1S)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLAMINO]PROPYL}-3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-5-(ETHYLAMINO)BENZAMIDE'>C44</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1m4h|1m4h]], [[1sgz|1sgz]], [[1w50|1w50]], [[1w51|1w51]], [[1xs7|1xs7]], [[1ym4|1ym4]], [[1fkn|1fkn]], [[1py1|1py1]], [[1tqf|1tqf]], [[1ujj|1ujj]], [[1ujk|1ujk]], [[1xn2|1xn2]], [[1xn3|1xn3]], [[1ym2|1ym2]], [[2b8l|2b8l]], [[2b8v|2b8v]], [[2va5|2va5]], [[2va6|2va6]], [[2va7|2va7]], [[2vie|2vie]]</div></td></tr>
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{{STRUCTURE_2vij| PDB=2vij | SCENE= }}
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></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=2vij FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vij OCA], [https://pdbe.org/2vij PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vij RCSB], [https://www.ebi.ac.uk/pdbsum/2vij PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vij 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/vi/2vij_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=2vij 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 article is focusing on further optimization of previously described hydroxy ethylamine (HEA) BACE-1 inhibitors obtained from a focused library with the support of X-ray crystallography. Optimization of the non-prime side of our inhibitors and introduction of a 6-membered sultam substituent binding to Asn-294 as well as a fluorine in the C-2 position led to derivatives with nanomolar potency in cell-based assays.
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===HUMAN BACE-1 IN COMPLEX WITH 3-(1,1-DIOXIDOTETRAHYDRO-2H-1, 2-THIAZIN-2-YL)-5-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYLAMINO) PROPYL)BENZAMIDE===
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BACE-1 inhibitors part 3: identification of hydroxy ethylamines (HEAs) with nanomolar potency in cells.,Beswick P, Charrier N, Clarke B, Demont E, Dingwall C, Dunsdon R, Faller A, Gleave R, Hawkins J, Hussain I, Johnson CN, MacPherson D, Maile G, Matico R, Milner P, Mosley J, Naylor A, O'Brien A, Redshaw S, Riddell D, Rowland P, Skidmore J, Soleil V, Smith KJ, Stanway S, Stemp G, Stuart A, Sweitzer S, Theobald P, Vesey D, Walter DS, Ward J, Wayne G Bioorg Med Chem Lett. 2008 Feb 1;18(3):1022-6. Epub 2007 Dec 15. PMID:18171615<ref>PMID:18171615</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 2vij" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18171615}}, 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 18171615 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18171615}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Human]]
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2VIJ is a 1 chain structure of 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=2VIJ OCA].
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[[Category: Large Structures]]
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==Reference==
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<ref group="xtra">PMID:18171615</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
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[[Category: Memapsin 2]]
[[Category: Memapsin 2]]
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[[Category: Beswick, P.]]
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[[Category: Beswick, P]]
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[[Category: Brien, A O.]]
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[[Category: Brien, A O]]
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[[Category: Charrier, N.]]
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[[Category: Charrier, N]]
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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: Gleave, R.]]
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[[Category: Gleave, R]]
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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: Johnson, C.]]
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[[Category: Johnson, C N]]
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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: 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: Skidmore, J.]]
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[[Category: Skidmore, J]]
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[[Category: Smith, K.]]
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[[Category: Smith, K J]]
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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: Stuart, A.]]
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[[Category: Stuart, A]]
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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, D S]]
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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]]
[[Category: Alternative splicing]]
[[Category: Alternative splicing]]
[[Category: Asp-2]]
[[Category: Asp-2]]
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[[Category: Transmembrane]]
[[Category: Transmembrane]]
[[Category: Zymogen]]
[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 05:57:43 2009''
 

Current revision

Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide

PDB ID 2vij

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