3ce5

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[[Image:3ce5.png|left|200px]]
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==A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19==
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<StructureSection load='3ce5' size='340' side='right' caption='[[3ce5]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3ce5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CE5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3CE5 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=BRA:9-[4-(N,N-DIMETHYLAMINO)PHENYLAMINO]-3,6-BIS(3-PYRROLIDINOPROPIONAMIDO)+ACRIDINE'>BRA</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1k8p|1k8p]]</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=3ce5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ce5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ce5 RCSB], [http://www.ebi.ac.uk/pdbsum/3ce5 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands
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{{STRUCTURE_3ce5| PDB=3ce5 | SCENE= }}
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Structural basis of DNA quadruplex recognition by an acridine drug.,Campbell NH, Parkinson GN, Reszka AP, Neidle S J Am Chem Soc. 2008 May 28;130(21):6722-4. Epub 2008 May 6. PMID:18457389<ref>PMID:18457389</ref>
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===A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_18457389}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[3ce5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CE5 OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:018457389</ref><references group="xtra"/>
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[[Category: Campbell, N H.]]
[[Category: Campbell, N H.]]
[[Category: Neidle, S.]]
[[Category: Neidle, S.]]

Revision as of 09:33, 5 November 2014

A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19

3ce5, resolution 2.50Å

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