3zt3

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3zt3]] 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=3ZT3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZT3 FirstGlance]. <br>
<table><tr><td colspan='2'>[[3zt3]] 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=3ZT3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ZT3 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZT4:5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC+ACID'>ZT4</scene><br>
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</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZT4:5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC+ACID'>ZT4</scene></td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3zsq|3zsq]], [[3zt2|3zt2]], [[3zt4|3zt4]], [[3zsw|3zsw]], [[1hyz|1hyz]], [[3zt1|3zt1]], [[3zso|3zso]], [[1hyv|1hyv]], [[3zsx|3zsx]], [[3zsz|3zsz]], [[3zt0|3zt0]], [[3zsv|3zsv]], [[3zsy|3zsy]], [[3zsr|3zsr]]</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]], [[3zt4|3zt4]], [[3zsw|3zsw]], [[1hyz|1hyz]], [[3zt1|3zt1]], [[3zso|3zso]], [[1hyv|1hyv]], [[3zsx|3zsx]], [[3zsz|3zsz]], [[3zt0|3zt0]], [[3zsv|3zsv]], [[3zsy|3zsy]], [[3zsr|3zsr]]</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3zt3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zt3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3zt3 RCSB], [http://www.ebi.ac.uk/pdbsum/3zt3 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=3zt3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zt3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3zt3 RCSB], [http://www.ebi.ac.uk/pdbsum/3zt3 PDBsum]</span></td></tr>
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<table>
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</table>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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Small Molecule Inhibitors of the LEDGF Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.,Peat TS, Rhodes DI, Vandegraaff N, Le G, Smith JA, Clark LJ, Jones ED, Coates JA, Thienthong N, Newman J, Dolezal O, Mulder R, Ryan JH, Savage GP, Francis CL, Deadman JJ PLoS One. 2012;7(7):e40147. Epub 2012 Jul 10. PMID:22808106<ref>PMID:22808106</ref>
Small Molecule Inhibitors of the LEDGF Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.,Peat TS, Rhodes DI, Vandegraaff N, Le G, Smith JA, Clark LJ, Jones ED, Coates JA, Thienthong N, Newman J, Dolezal O, Mulder R, Ryan JH, Savage GP, Francis CL, Deadman JJ PLoS One. 2012;7(7):e40147. Epub 2012 Jul 10. PMID:22808106<ref>PMID:22808106</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
== References ==
== References ==
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</StructureSection>
</StructureSection>
[[Category: Human immunodeficiency virus]]
[[Category: Human immunodeficiency virus]]
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[[Category: Coates, J A.V.]]
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[[Category: Coates, J A.V]]
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[[Category: Deadman, J J.]]
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[[Category: Deadman, J J]]
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[[Category: Dolezal, O.]]
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[[Category: Dolezal, O]]
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[[Category: Francis, C L.]]
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[[Category: Francis, C L]]
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[[Category: Jones, E D.]]
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[[Category: Jones, E D]]
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[[Category: Le, G.]]
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[[Category: Le, G]]
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[[Category: Newman, J.]]
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[[Category: Newman, J]]
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[[Category: Peat, T S.]]
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[[Category: Peat, T S]]
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[[Category: Rhodes, D I.]]
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[[Category: Rhodes, D I]]
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[[Category: Ryan, J H.]]
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[[Category: Ryan, J H]]
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[[Category: Savage, G P.]]
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[[Category: Savage, G P]]
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[[Category: Smith, J A.]]
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[[Category: Smith, J A]]
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[[Category: Thienthong, N.]]
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[[Category: Thienthong, N]]
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[[Category: Vandergraaff, N.]]
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[[Category: Vandergraaff, N]]
[[Category: Aid]]
[[Category: Aid]]
[[Category: Transferase]]
[[Category: Transferase]]

Revision as of 09:13, 4 January 2015

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

3zt3, resolution 1.95Å

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