5lig

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m (Protected "5lig" [edit=sysop:move=sysop])
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'''Unreleased structure'''
 
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The entry 5lig is ON HOLD
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==G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2==
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<StructureSection load='5lig' size='340' side='right' caption='[[5lig]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5lig]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LIG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LIG 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=6XM:8,12-BIS(2-MORPHOLINOETHYL)-8H-BENZO[IJ]XANTHENO[1,9,8-CDEF][2,7]NAPHTHYRIDIN-12-IUMHEXAFLUOROPHOSPHATE'>6XM</scene></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=5lig FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lig OCA], [http://pdbe.org/5lig PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lig RCSB], [http://www.ebi.ac.uk/pdbsum/5lig PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lig ProSAT]</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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An NMR structural study of the interaction between a small-molecule optical probe (DAOTA-M2) and a G-quadruplex from the promoter region of the c-myc oncogene revealed that they interact at 1:2 binding stoichiometry. NMR-restrained structural calculations show that binding of DAOTA-M2 occurs mainly through pi-pi stacking between the polyaromatic core of the ligand and guanine residues of the outer G-quartets. Interestingly, the binding affinities of DAOTA-M2 differ by a factor of two for the outer G-quartets of the unimolecular parallel G-quadruplex under study. Unrestrained MD calculations indicate that DAOTA-M2 displays significant dynamic behavior when stacked on a G-quartet plane. These studies provide molecular guidelines for the design of triangulenium derivatives that can be used as optical probes for G-quadruplexes.
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Authors: Kotar, A., Wang, B., Shivalingam, A., Gonzalez-Garcia, J., Vilar, R., Plavec, J.
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NMR Structure of a Triangulenium-Based Long-Lived Fluorescence Probe Bound to a G-Quadruplex.,Kotar A, Wang B, Shivalingam A, Gonzalez-Garcia J, Vilar R, Plavec J Angew Chem Int Ed Engl. 2016 Aug 31. doi: 10.1002/anie.201606877. PMID:27577037<ref>PMID:27577037</ref>
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Description: G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Shivalingam, A]]
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<div class="pdbe-citations 5lig" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Gonzalez-Garcia, J]]
[[Category: Gonzalez-Garcia, J]]
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[[Category: Kotar, A]]
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[[Category: Plavec, J]]
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[[Category: Shivalingam, A]]
[[Category: Vilar, R]]
[[Category: Vilar, R]]
[[Category: Wang, B]]
[[Category: Wang, B]]
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[[Category: Plavec, J]]
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[[Category: C-myc promoter]]
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[[Category: Kotar, A]]
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[[Category: Daota-m2]]
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[[Category: Dna]]
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[[Category: G-quadruplex]]
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[[Category: Ligand]]

Revision as of 15:21, 14 September 2016

G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2

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