2l8h: Difference between revisions

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'''Unreleased structure'''


The entry 2l8h is ON HOLD
==Chemical probe bound to HIV TAR RNA==
<StructureSection load='2l8h' size='340' side='right'caption='[[2l8h]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2l8h]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L8H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2L8H FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ARG:ARGININE'>ARG</scene>, <scene name='pdbligand=L8H:4-METHOXYNAPHTHALEN-2-AMINE'>L8H</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2l8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2l8h OCA], [https://pdbe.org/2l8h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2l8h RCSB], [https://www.ebi.ac.uk/pdbsum/2l8h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2l8h ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The HIV-1 transactivation response (TAR) element-Tat interaction is a potentially valuable target for treating HIV infection, but efforts to develop TAR-binding antiviral drugs have not yet yielded a successful candidate for clinical development. In this work, we describe a novel approach toward screening fragments against RNA that uses a chemical probe to target the Tat-binding region of TAR. This probe fulfills two critical roles in the screen: by locking the RNA into a conformation capable of binding other fragments, it simultaneously allows the identification of proximal binding fragments by ligand-based NMR. Using this approach, we have discovered six novel TAR-binding fragments, three of which were docked relative to the probe-RNA structure using experimental NMR restraints. The consistent orientations of functional groups in our data-driven docked structures and common electrostatic properties across all fragment leads reveal a surprising level of selectivity by our fragment-sized screening hits. These models further suggest linking strategies for the development of higher-affinity lead compounds for the inhibition of the TAR-Tat interaction.


Authors: Davidson, A., Begley, D., Lau, C., Varani, G.
A Small-Molecule Probe Induces a Conformation in HIV TAR RNA Capable of Binding Drug-Like Fragments.,Davidson A, Begley DW, Lau C, Varani G J Mol Biol. 2011 Jul 29;410(5):984-96. PMID:21763501<ref>PMID:21763501</ref>


Description: Chemical probe bound to HIV TAR RNA
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2l8h" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Begley D]]
[[Category: Davidson A]]
[[Category: Lau C]]
[[Category: Varani G]]
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