3dv1

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{{Seed}}
 
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[[Image:3dv1.jpg|left|200px]]
 
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==Crystal structure of human beta-secretase in complex with NVP-ARV999==
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The line below this paragraph, containing "STRUCTURE_3dv1", creates the "Structure Box" on the page.
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<StructureSection load='3dv1' size='340' side='right'caption='[[3dv1]], [[Resolution|resolution]] 2.10&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'>[[3dv1]] 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=3DV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DV1 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]] 2.1&#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=AR9:(2R,4S)-N-BUTYL-4-[(2S,5S,7R)-2,7-DIMETHYL-3,15-DIOXO-1,4-DIAZACYCLOPENTADECAN-5-YL]-4-HYDROXY-2-METHYLBUTANAMIDE'>AR9</scene></td></tr>
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{{STRUCTURE_3dv1| PDB=3dv1 | 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=3dv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dv1 OCA], [https://pdbe.org/3dv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dv1 RCSB], [https://www.ebi.ac.uk/pdbsum/3dv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dv1 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/dv/3dv1_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=3dv1 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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The macrocyclic peptidic BACE-1 inhibitors 2a-c show moderate enzymatic and cellular activity. By exchange of the hydroxyethylene- to ethanolamine-transition state mimetic the peptidic character was reduced, providing the highly potent and selective inhibitor 3. Variation of the P' moiety resulted in the macrocyclic inhibitor 14. Both macrocycles show inhibition of BACE-1 in the brain of APP51/16 transgenic mice, 3 (NB-544) after intravenous and 14 (NB-533) after oral application.
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===Crystal structure of human beta-secretase in complex with NVP-ARV999===
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Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.,Machauer R, Laumen K, Veenstra S, Rondeau JM, Tintelnot-Blomley M, Betschart C, Jaton AL, Desrayaud S, Staufenbiel M, Rabe S, Paganetti P, Neumann U Bioorg Med Chem Lett. 2009 Mar 1;19(5):1366-70. Epub 2009 Jan 22. PMID:19195887<ref>PMID:19195887</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 3dv1" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_19195887}}, 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 19195887 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_19195887}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3DV1 is a 3 chains structure of sequences 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=3DV1 OCA].
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==Reference==
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<ref group="xtra">PMID:19195887</ref><ref group="xtra">PMID:19195886</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: Rondeau, J M.]]
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[[Category: Rondeau J-M]]
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[[Category: Alternative splicing]]
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[[Category: Alzheimer's disease]]
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[[Category: Aspartic protease]]
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[[Category: Aspartyl protease]]
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[[Category: Bace1]]
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[[Category: Beta-secretase]]
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[[Category: Enzyme inhibitor complex]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Memapsin2]]
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[[Category: Membrane]]
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[[Category: Transmembrane]]
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[[Category: Zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 25 09:29:29 2009''
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Current revision

Crystal structure of human beta-secretase in complex with NVP-ARV999

PDB ID 3dv1

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