3qbh

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Current revision (09:35, 30 October 2024) (edit) (undo)
 
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<StructureSection load='3qbh' size='340' side='right'caption='[[3qbh]], [[Resolution|resolution]] 2.24&Aring;' scene=''>
<StructureSection load='3qbh' size='340' side='right'caption='[[3qbh]], [[Resolution|resolution]] 2.24&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3qbh]] is a 3 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=3QBH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QBH FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3qbh]] 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=3QBH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QBH FirstGlance]. <br>
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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=QBH:(4S)-4-(2-HYDROXY-5-{[(3S,4S,5R)-4-HYDROXY-1,1-DIOXIDO-5-{[3-(PROPAN-2-YL)BENZYL]AMINO}TETRAHYDRO-2H-THIOPYRAN-3-YL]METHYL}BENZYL)-3-PROPYL-1,3-OXAZOLIDIN-2-ONE'>QBH</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]] 2.24&#8491;</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;'>[[3pi5|3pi5]]</div></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=QBH:(4S)-4-(2-HYDROXY-5-{[(3S,4S,5R)-4-HYDROXY-1,1-DIOXIDO-5-{[3-(PROPAN-2-YL)BENZYL]AMINO}TETRAHYDRO-2H-THIOPYRAN-3-YL]METHYL}BENZYL)-3-PROPYL-1,3-OXAZOLIDIN-2-ONE'>QBH</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, KIAA1149 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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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=3qbh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qbh OCA], [https://pdbe.org/3qbh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qbh RCSB], [https://www.ebi.ac.uk/pdbsum/3qbh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qbh ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3qbh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qbh OCA], [https://pdbe.org/3qbh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qbh RCSB], [https://www.ebi.ac.uk/pdbsum/3qbh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qbh ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== 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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[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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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Memapsin 2]]
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[[Category: Rondeau JM]]
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[[Category: Rondeau, J M]]
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[[Category: Enzyme inhibitor complex]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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Current revision

Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors

PDB ID 3qbh

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