3nyp

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[[Image:3nyp.png|left|200px]]
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==A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains==
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<StructureSection load='3nyp' size='340' side='right' caption='[[3nyp]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3nyp]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NYP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NYP FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=RNR:3,6-BIS(3-(3-(R)-FLUOROPYRROLINDINO)PROPIONAMIDO)ACRIDINE'>RNR</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1jpq|1jpq]], [[1jrn|1jrn]], [[1l1h|1l1h]], [[3ce5|3ce5]], [[3em2|3em2]], [[3eqw|3eqw]], [[3eru|3eru]], [[3es0|3es0]], [[3et8|3et8]], [[3eui|3eui]], [[3eum|3eum]], [[3nz7|3nz7]]</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=3nyp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nyp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3nyp RCSB], [http://www.ebi.ac.uk/pdbsum/3nyp 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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Comparative X-ray structure studies reveal that C-F bond incorporation into the peripheral pyrrolidine moieties of the G-quadruplex DNA binding ligand BSU6039 leads to a distinct pyrrolidine ring conformation, relative to the non-fluorinated analogue, and with a different binding mode involving reversal of the pyrrolidinium N(+)-H orientation.
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Fluorine in medicinal chemistry: beta-fluorination of peripheral pyrrolidines attached to acridine ligands affects their interactions with G-quadruplex DNA.,Campbell NH, Smith DL, Reszka AP, Neidle S, O'Hagan D Org Biomol Chem. 2011 Mar 7;9(5):1328-31. Epub 2011 Jan 10. PMID:21221451<ref>PMID:21221451</ref>
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The line below this paragraph, containing "STRUCTURE_3nyp", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_3nyp| PDB=3nyp | SCENE= }}
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===A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_21221451}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 21221451 is the PubMed ID number.
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</StructureSection>
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{{ABSTRACT_PUBMED_21221451}}
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==About this Structure==
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[[3nyp]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NYP OCA].
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==Reference==
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<ref group="xtra">PMID:021221451</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 10:29, 28 May 2014

A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine ligand containing bis-3-fluoropyrrolidine end side chains

3nyp, resolution 1.18Å

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