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2l8h

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[[Image:2l8h.png|left|200px]]
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==Chemical probe bound to HIV TAR RNA==
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<StructureSection load='2l8h' size='340' side='right' caption='[[2l8h]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''>
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== Structural highlights ==
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[[2l8h]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L8H OCA]. <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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== Publication Abstract from PubMed ==
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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.
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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>
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The line below this paragraph, containing "STRUCTURE_2l8h", creates the "Structure Box" on the page.
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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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_2l8h| PDB=2l8h | SCENE= }}
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===Chemical probe bound to HIV TAR RNA===
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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__
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The line below this paragraph, {{ABSTRACT_PUBMED_21763501}}, adds the Publication Abstract to the page
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</StructureSection>
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(as it appears on PubMed at http://www.pubmed.gov), where 21763501 is the PubMed ID number.
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{{ABSTRACT_PUBMED_21763501}}
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==About this Structure==
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[[2l8h]] is a 1 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2L8H OCA].
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==Reference==
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<ref group="xtra">PMID:021763501</ref><references group="xtra"/>
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[[Category: Begley, D.]]
[[Category: Begley, D.]]
[[Category: Davidson, A.]]
[[Category: Davidson, A.]]

Revision as of 08:18, 30 April 2014

Chemical probe bound to HIV TAR RNA

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