3ce5: Difference between revisions

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[[~~Image~~:~~3ce5~~.~~png~~|~~left~~|~~200px~~]]

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

== Structural highlights ==

<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>

</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>

<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1k8p|1k8p]]</td></tr>

<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>

</table>

== Publication Abstract from PubMed ==

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

~~{{STRUCTURE_3ce5| PDB=3ce5 | SCENE= }}~~

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>

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

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

</div>

~~{{ABSTRACT_PUBMED_18457389}}~~

== References ==

~~==About this Structure==~~

__TOC__

~~[[3ce5]] is~~ a ~~2 chain structure. Full crystallographic information is available from [http://oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=3CE5 OCA].~~

</StructureSection>

==~~Reference~~==

<~~ref group="xtra">PMID:018457389<~~/~~ref~~><~~references group="xtra"~~/>

[[Category: Campbell, N H.]]

[[Category: Neidle, S.]]

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-[[Image:3ce5.png|left|200px]]
+==A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19==
+<StructureSection load='3ce5' size='340' side='right' caption='[[3ce5]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
+== Structural highlights ==
+<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>
+</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>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1k8p|1k8p]]</td></tr>
+<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>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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
-{{STRUCTURE_3ce5|  PDB=3ce5  |  SCENE=  }}
+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>
-===A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_18457389}}
+== References ==
+<references/>
-==About this Structure==
+__TOC__
-[[3ce5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CE5 OCA].
+</StructureSection>
-==Reference==
-<ref group="xtra">PMID:018457389</ref><references group="xtra"/>
 [[Category: Campbell, N H.]]
 [[Category: Neidle, S.]]