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4r95

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'''Unreleased structure'''
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==BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium==
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<StructureSection load='4r95' size='340' side='right' caption='[[4r95]], [[Resolution|resolution]] 1.99&Aring;' scene=''>
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The entry 4r95 is ON HOLD until Paper Publication
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4r95]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4R95 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4R95 FirstGlance]. <br>
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Authors: Orth, P., Strickland, C., Caldwell, J.P.
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3KW:(2E,5R)-5-(2-CYCLOHEXYLETHYL)-2-IMINO-3-METHYL-5-{[(1S,3R)-3-(QUINOLIN-2-YLAMINO)CYCLOHEXYL]METHYL}IMIDAZOLIDIN-4-ONE'>3KW</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4r8y|4r8y]], [[4r91|4r91]], [[4r92|4r92]], [[4r93|4r93]]</td></tr>
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Description: BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
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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=4r95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r95 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r95 RCSB], [http://www.ebi.ac.uk/pdbsum/4r95 PDBsum]</span></td></tr>
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</table>
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__TOC__
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</StructureSection>
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[[Category: Memapsin 2]]
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[[Category: Caldwell, J P.]]
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[[Category: Orth, P.]]
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[[Category: Strickland, C.]]
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[[Category: Aspartic protease]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]

Revision as of 09:00, 5 November 2014

BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium

4r95, resolution 1.99Å

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