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2l7v

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==Quindoline/G-quadruplex complex==
==Quindoline/G-quadruplex complex==
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<StructureSection load='2l7v' size='340' side='right' caption='[[2l7v]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''>
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<StructureSection load='2l7v' size='340' side='right'caption='[[2l7v]]' scene=''>
== Structural highlights ==
== Structural highlights ==
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[[2l7v]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L7V OCA]. <br>
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<table><tr><td colspan='2'>[[2l7v]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L7V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2L7V FirstGlance]. <br>
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<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
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== Publication Abstract from PubMed ==
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=QUL:N,N-DIETHYL-N-(10H-INDOLO[3,2-B]QUINOLIN-11-YL)ETHANE-1,2-DIAMINE'>QUL</scene></td></tr>
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Unimolecular parallel-stranded G-quadruplex structures are found to be prevalent in gene promoters. The nuclease hypersensitivity element III(1) (NHE III(1)) of the c-MYC promoter can form transcriptionally active and silenced forms, and the formation of DNA G-quadruplex structures has been shown to be critical for c-MYC transcriptional silencing. The solution structure of a 2:1 quindoline-G-quadruplex complex has been solved and shows unexpected features, including the drug-induced reorientation of the flanking sequences to form a new binding pocket. While both 3' and 5' complexes show overall similar features, there are identifiable differences that emphasize the importance of both stacking and electronic interactions. For the first time, we describe the importance of the shape of the ligand as well as the two flanking bases in determining drug binding specificity. These structures provide important insights for the structure-based rational design of drugs that bind to unimolecular parallel G-quadruplexes commonly found in promoter elements.
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2l7v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2l7v OCA], [https://pdbe.org/2l7v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2l7v RCSB], [https://www.ebi.ac.uk/pdbsum/2l7v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2l7v ProSAT]</span></td></tr>
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</table>
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Solution Structure of a 2:1 Quindoline-c-MYC G-Quadruplex: Insights into G-Quadruplex-Interactive Small Molecule Drug Design.,Dai J, Carver M, Hurley LH, Yang D J Am Chem Soc. 2011 Nov 9;133(44):17673-80. Epub 2011 Oct 14. PMID:21967482<ref>PMID:21967482</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Carver, M.]]
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[[Category: Large Structures]]
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[[Category: Dai, J.]]
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[[Category: Carver M]]
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[[Category: Mathad, R.]]
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[[Category: Dai J]]
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[[Category: Yang, D.]]
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[[Category: Mathad R]]
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[[Category: C-myc promoter]]
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[[Category: Yang D]]
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[[Category: C-myc promoter g-quadruplex]]
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[[Category: Dna-inhibitor complex]]
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Current revision

Quindoline/G-quadruplex complex

PDB ID 2l7v

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