1lvj

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[[Image:1lvj.gif|left|200px]]
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{{Seed}}
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{{STRUCTURE_1lvj| PDB=1lvj | SCENE= }}
{{STRUCTURE_1lvj| PDB=1lvj | SCENE= }}
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'''STRUCTURE OF TAR RNA COMPLEXED WITH A TAT-TAR INTERACTION NANOMOLAR INHIBITOR THAT WAS IDENTIFIED BY COMPUTATIONAL SCREENING'''
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===STRUCTURE OF TAR RNA COMPLEXED WITH A TAT-TAR INTERACTION NANOMOLAR INHIBITOR THAT WAS IDENTIFIED BY COMPUTATIONAL SCREENING===
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==Overview==
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HIV-1 TAR RNA functions critically in viral replication by binding the transactivating regulatory protein Tat. We recently identified several compounds that experimentally inhibit the Tat-TAR interaction completely at a 100 nM concentration. We used computational screening of the 181,000-compound Available Chemicals Directory against the three-dimensional structure of TAR [1]. Here we report the NMR-derived structure of TAR complexed with acetylpromazine. This structure represents a new class of compounds with good bioavailability and low toxicity that bind with high affinity to TAR. NMR data unambiguously show that acetylpromazine binds only to the unique 5' bulge site to which the Tat protein binds. Specificity and affinity of binding are conferred primarily by a network of base stacking and hydrophobic interactions. Acetylpromazine alters the structure of free TAR less than Tat peptides and neomycin do.
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The line below this paragraph, {{ABSTRACT_PUBMED_12079782}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 12079782 is the PubMed ID number.
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{{ABSTRACT_PUBMED_12079782}}
==About this Structure==
==About this Structure==
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LVJ OCA].
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Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LVJ OCA].
==Reference==
==Reference==
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[[Category: Nmr]]
[[Category: Nmr]]
[[Category: Transcriptional activation]]
[[Category: Transcriptional activation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 00:20:16 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 2 22:27:34 2008''

Revision as of 19:27, 2 July 2008

Image:1lvj.png

Template:STRUCTURE 1lvj

STRUCTURE OF TAR RNA COMPLEXED WITH A TAT-TAR INTERACTION NANOMOLAR INHIBITOR THAT WAS IDENTIFIED BY COMPUTATIONAL SCREENING

Template:ABSTRACT PUBMED 12079782

About this Structure

Full experimental information is available from OCA.

Reference

Structure of TAR RNA complexed with a Tat-TAR interaction nanomolar inhibitor that was identified by computational screening., Du Z, Lind KE, James TL, Chem Biol. 2002 Jun;9(6):707-12. PMID:12079782

Page seeded by OCA on Wed Jul 2 22:27:34 2008

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