4exg

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==Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors==
==Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors==
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<StructureSection load='4exg' size='340' side='right' caption='[[4exg]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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<StructureSection load='4exg' size='340' side='right'caption='[[4exg]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4exg]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4EXG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EXG FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4exg]] 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=4EXG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4EXG 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=916:N-[(2S,3R)-4-{[(4S)-6-(2,2-DIMETHYLPROPYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-THIENO[2,3-B]PYRAN-4-YL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]ACETAMIDE'>916</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">[[4ewo|4ewo]]</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=916:N-[(2S,3R)-4-{[(4S)-6-(2,2-DIMETHYLPROPYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-THIENO[2,3-B]PYRAN-4-YL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]ACETAMIDE'>916</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, KIAA1149 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4exg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4exg OCA], [https://pdbe.org/4exg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4exg RCSB], [https://www.ebi.ac.uk/pdbsum/4exg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4exg ProSAT]</span></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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4exg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4exg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4exg RCSB], [http://www.ebi.ac.uk/pdbsum/4exg 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 4exg" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Beta secretase|Beta secretase]]
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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: Human]]
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[[Category: Homo sapiens]]
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[[Category: Memapsin 2]]
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[[Category: Large Structures]]
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[[Category: Borkakoti, N]]
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[[Category: Borkakoti N]]
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[[Category: Derbyshire, D]]
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[[Category: Derbyshire D]]
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[[Category: Lindberg, J]]
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[[Category: Lindberg J]]
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[[Category: Aspartyl protease]]
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[[Category: Bace]]
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[[Category: Beta-secretase]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Inhibitor]]
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[[Category: Membrane]]
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[[Category: Protease]]
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[[Category: Statine]]
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[[Category: Transmembrane]]
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[[Category: Zymogen]]
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Current revision

Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors

PDB ID 4exg

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