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4k8s

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==Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity==
==Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity==
<StructureSection load='4k8s' size='340' side='right' caption='[[4k8s]], [[Resolution|resolution]] 2.39&Aring;' scene=''>
<StructureSection load='4k8s' size='340' side='right' caption='[[4k8s]], [[Resolution|resolution]] 2.39&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4k8s]] is a 3 chain structure with 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=4K8S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4K8S FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4k8s]] is a 3 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=4K8S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4K8S FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1QT:(3S)-3-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-4-AZABICYCLO[11.3.1]HEPTADECA-1(17),13,15-TRIEN-5-ONE'>1QT</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1QT:(3S)-3-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-4-AZABICYCLO[11.3.1]HEPTADECA-1(17),13,15-TRIEN-5-ONE'>1QT</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4k9h|4k9h]], [[4ke0|4ke0]], [[4ke1|4ke1]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4k9h|4k9h]], [[4ke0|4ke0]], [[4ke1|4ke1]]</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 Homo sapiens])</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>
<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>
<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=4k8s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k8s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4k8s RCSB], [http://www.ebi.ac.uk/pdbsum/4k8s PDBsum]</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=4k8s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4k8s OCA], [http://pdbe.org/4k8s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4k8s RCSB], [http://www.ebi.ac.uk/pdbsum/4k8s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4k8s ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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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 4k8s" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Human]]
[[Category: Memapsin 2]]
[[Category: Memapsin 2]]
[[Category: Jordan, S R]]
[[Category: Jordan, S R]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Protease]]
[[Category: Protease]]

Revision as of 02:13, 5 August 2016

Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity

4k8s, resolution 2.39Å

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