3zsr

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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==
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<StructureSection load='3zsr' size='340' side='right' caption='[[3zsr]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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<StructureSection load='3zsr' size='340' side='right'caption='[[3zsr]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3zsr]] 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=3ZSR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZSR FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3zsr]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aids_virus Aids virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3ZSR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZSR FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=O3N:(2S)-2-(2-CARBOXYETHYL)-6-{[{2-[(CYCLOHEXYLMETHYL)CARBAMOYL]BENZYL}(PROP-2-EN-1-YL)AMINO]METHYL}-2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBOXYLIC+ACID'>O3N</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=O3N:(2S)-2-(2-CARBOXYETHYL)-6-{[{2-[(CYCLOHEXYLMETHYL)CARBAMOYL]BENZYL}(PROP-2-EN-1-YL)AMINO]METHYL}-2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBOXYLIC+ACID'>O3N</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3zsq|3zsq]], [[3zt2|3zt2]], [[3zt3|3zt3]], [[3zt4|3zt4]], [[3zsw|3zsw]], [[1hyz|1hyz]], [[1hyv|1hyv]], [[3zso|3zso]], [[3zt1|3zt1]], [[3zsx|3zsx]], [[3zsz|3zsz]], [[3zt0|3zt0]], [[3zsv|3zsv]], [[3zsy|3zsy]]</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;'>[[3zsq|3zsq]], [[3zt2|3zt2]], [[3zt3|3zt3]], [[3zt4|3zt4]], [[3zsw|3zsw]], [[1hyz|1hyz]], [[1hyv|1hyv]], [[3zso|3zso]], [[3zt1|3zt1]], [[3zsx|3zsx]], [[3zsz|3zsz]], [[3zt0|3zt0]], [[3zsv|3zsv]], [[3zsy|3zsy]]</div></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=3zsr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zsr OCA], [http://pdbe.org/3zsr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3zsr RCSB], [http://www.ebi.ac.uk/pdbsum/3zsr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3zsr ProSAT]</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=3zsr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zsr OCA], [https://pdbe.org/3zsr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zsr RCSB], [https://www.ebi.ac.uk/pdbsum/3zsr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zsr ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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</StructureSection>
</StructureSection>
[[Category: Aids virus]]
[[Category: Aids virus]]
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[[Category: Large Structures]]
[[Category: Coates, J A.V]]
[[Category: Coates, J A.V]]
[[Category: Deadman, J J]]
[[Category: Deadman, J J]]

Revision as of 07:14, 18 August 2022

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

PDB ID 3zsr

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