3zsw

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==Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design==
==Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design==
<StructureSection load='3zsw' size='340' side='right' caption='[[3zsw]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
<StructureSection load='3zsw' size='340' side='right' caption='[[3zsw]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3zsw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus Human immunodeficiency virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZSW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZSW FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3zsw]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Aids_virus Aids virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZSW OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZSW FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=THR:THREONINE'>THR</scene>, <scene name='pdbligand=ZSW:(R)-[2-[[(2R)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[[(2S)-5-CARBOXY-2-(2-CARBOXYETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL]METHYL]-PROP-2-ENYL-AZANIUM'>ZSW</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=THR:THREONINE'>THR</scene>, <scene name='pdbligand=ZSW:(R)-[2-[[(2R)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[[(2S)-5-CARBOXY-2-(2-CARBOXYETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL]METHYL]-PROP-2-ENYL-AZANIUM'>ZSW</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3zsq|3zsq]], [[3zt2|3zt2]], [[3zt3|3zt3]], [[3zt4|3zt4]], [[1hyz|1hyz]], [[3zso|3zso]], [[1hyv|1hyv]], [[3zt1|3zt1]], [[3zsx|3zsx]], [[3zsz|3zsz]], [[3zt0|3zt0]], [[3zsv|3zsv]], [[3zsy|3zsy]], [[3zsr|3zsr]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3zsq|3zsq]], [[3zt2|3zt2]], [[3zt3|3zt3]], [[3zt4|3zt4]], [[1hyz|1hyz]], [[3zso|3zso]], [[1hyv|1hyv]], [[3zt1|3zt1]], [[3zsx|3zsx]], [[3zsz|3zsz]], [[3zt0|3zt0]], [[3zsv|3zsv]], [[3zsy|3zsy]], [[3zsr|3zsr]]</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=3zsw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zsw OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3zsw RCSB], [http://www.ebi.ac.uk/pdbsum/3zsw 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=3zsw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zsw OCA], [http://pdbe.org/3zsw PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3zsw RCSB], [http://www.ebi.ac.uk/pdbsum/3zsw PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3zsw ProSAT]</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>
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<div class="pdbe-citations 3zsw" style="background-color:#fffaf0;"></div>
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human immunodeficiency virus]]
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[[Category: Aids virus]]
[[Category: Coates, J A.V]]
[[Category: Coates, J A.V]]
[[Category: Deadman, J J]]
[[Category: Deadman, J J]]

Revision as of 17:19, 11 August 2016

Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design

3zsw, resolution 1.80Å

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