4rrs

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==8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors==
==8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors==
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<StructureSection load='4rrs' size='340' side='right' caption='[[4rrs]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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<StructureSection load='4rrs' size='340' side='right'caption='[[4rrs]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4rrs]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RRS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RRS FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4rrs]] 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=4RRS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RRS FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3UY:(4R,4AR,10AS)-8-(2-FLUOROPYRIDIN-3-YL)-4A-METHYL-3,4,4A,10A-TETRAHYDRO-2H-SPIRO[1,3-OXAZOLE-4,10-PYRANO[3,2-B]CHROMEN]-2-AMINE'>3UY</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
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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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4r5n|4r5n]], [[4rrn|4rrn]], [[4rro|4rro]]</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=3UY:(4R,4AR,10AS)-8-(2-FLUOROPYRIDIN-3-YL)-4A-METHYL-3,4,4A,10A-TETRAHYDRO-2H-SPIRO[1,3-OXAZOLE-4,10-PYRANO[3,2-B]CHROMEN]-2-AMINE'>3UY</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://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=4rrs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rrs OCA], [https://pdbe.org/4rrs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rrs RCSB], [https://www.ebi.ac.uk/pdbsum/4rrs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rrs ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4rrs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rrs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rrs RCSB], [http://www.ebi.ac.uk/pdbsum/4rrs PDBsum]</span></td></tr>
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</table>
</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>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 4rrs" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Beta secretase 3D structures|Beta secretase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Memapsin 2]]
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[[Category: Homo sapiens]]
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[[Category: Brown, K D]]
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[[Category: Large Structures]]
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[[Category: Burkard, M]]
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[[Category: Brown KD]]
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[[Category: Cox, A A]]
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[[Category: Burkard M]]
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[[Category: DeLisle, R K]]
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[[Category: Cox AA]]
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[[Category: Do, M K.Geck]]
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[[Category: DeLisle RK]]
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[[Category: Dutcher, D]]
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[[Category: Dutcher D]]
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[[Category: Groneberg, R]]
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[[Category: Geck Do MK]]
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[[Category: Hunt, K W]]
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[[Category: Groneberg R]]
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[[Category: Liao, J]]
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[[Category: Hunt KW]]
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[[Category: Liu, X]]
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[[Category: Liao J]]
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[[Category: Lyssikatos, J P]]
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[[Category: Liu X]]
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[[Category: Newhouse, B]]
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[[Category: Lyssikatos JP]]
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[[Category: Otten, J N]]
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[[Category: Newhouse B]]
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[[Category: Purkey, H E]]
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[[Category: Otten JN]]
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[[Category: Rana, S]]
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[[Category: Purkey HE]]
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[[Category: Regal, K]]
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[[Category: Rana S]]
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[[Category: Rhodes, S P]]
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[[Category: Regal K]]
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[[Category: Scearce-Levie, K]]
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[[Category: Rhodes SP]]
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[[Category: Siu, M]]
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[[Category: Scearce-Levie K]]
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[[Category: Smith, D]]
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[[Category: Siu M]]
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[[Category: Thomas, A A]]
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[[Category: Smith D]]
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[[Category: Vigers, G P.A]]
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[[Category: Thomas AA]]
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[[Category: Watts, R J]]
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[[Category: Vigers GPA]]
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[[Category: Wright, A D]]
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[[Category: Watts RJ]]
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[[Category: Aspartyl protease]]
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[[Category: Wright AD]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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Current revision

8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors

PDB ID 4rrs

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