3qi1: Difference between revisions

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==Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors==
==Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors==
<StructureSection load='3qi1' size='340' side='right' caption='[[3qi1]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
<StructureSection load='3qi1' size='340' side='right'caption='[[3qi1]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3qi1]] 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=3QI1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QI1 FirstGlance]. <br>
<table><tr><td colspan='2'>[[3qi1]] 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=3QI1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QI1 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C6A:N-[(2S,3R)-4-{[(2R,4S)-2-CYCLOPROPYL-6-(2,2-DIMETHYLPROPYL)-3,4-DIHYDRO-2H-CHROMEN-4-YL]AMINO}-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]ACETAMIDE'>C6A</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, KIAA1149 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C6A:N-[(2S,3R)-4-{[(2R,4S)-2-CYCLOPROPYL-6-(2,2-DIMETHYLPROPYL)-3,4-DIHYDRO-2H-CHROMEN-4-YL]AMINO}-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]ACETAMIDE'>C6A</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3qi1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qi1 OCA], [https://pdbe.org/3qi1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qi1 RCSB], [https://www.ebi.ac.uk/pdbsum/3qi1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qi1 ProSAT]</span></td></tr>
<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=3qi1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qi1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qi1 RCSB], [http://www.ebi.ac.uk/pdbsum/3qi1 PDBsum]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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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>
<div class="pdbe-citations 3qi1" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Beta secretase|Beta secretase]]
*[[Beta secretase 3D structures|Beta secretase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Human]]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Large Structures]]
[[Category: Yao, N]]
[[Category: Yao N]]
[[Category: Aspartate protease]]
[[Category: Hydrolase-hydrolase inhibitor complex]]

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