4nrt

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
m (Protected "4nrt" [edit=sysop:move=sysop])
Line 1: Line 1:
-
'''Unreleased structure'''
+
==Human Norovirus polymerase bound to Compound 6 (suramin derivative)==
 +
<StructureSection load='4nrt' size='340' side='right' caption='[[4nrt]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[4nrt]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NRT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NRT FirstGlance]. <br>
 +
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2NG:4-({4-METHYL-3-[(3-NITROBENZOYL)AMINO]BENZOYL}AMINO)NAPHTHALENE-1,5-DISULFONIC+ACID'>2NG</scene></td></tr>
 +
<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=4nrt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nrt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4nrt RCSB], [http://www.ebi.ac.uk/pdbsum/4nrt PDBsum]</span></td></tr>
 +
</table>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Noroviruses (NV) are +ssRNA viruses responsible for severe gastroenteritis; no effective vaccines/antivirals are currently available. We previously identified Suramin (9) as a potent inhibitor of NV-RNA dependent RNA polymerase (NV-RdRp). Despite significant in vitro activities versus several pharmacological targets, Suramin clinical use is hampered by pharmacokinetics/toxicity problems. To improve Suramin access to NV-RdRp in vivo, a Suramin-derivative, 8, devoid of two sulphonate groups, was synthesized, achieving significant anti-human-NV-RdRp activity (IC50 = 28 nM); the compound inhibits also murine NV (mNV) RdRp. The synthesis process led to the isolation/characterization of lower molecular weight intermediates (3-7) hosting only one sulphonate head. The crystal structures of both hNV/mNV-RdRps in complex with 6, were analyzed, providing new knowledge on the interactions that a small fragment can establish with NV-RdRps, and establishing a platform for structure-guided optimization of potency, selectivity and drugability.
-
The entry 4nrt is ON HOLD
+
Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.,Croci R, Pezzullo M, Tarantino D, Milani M, Tsay SC, Sureshbabu R, Tsai YJ, Mastrangelo E, Rohayem J, Bolognesi M, Hwu JR PLoS One. 2014 Mar 12;9(3):e91765. doi: 10.1371/journal.pone.0091765. eCollection, 2014. PMID:24622391<ref>PMID:24622391</ref>
-
Authors: Croci, R., Pezzullo, M., Tarantino, D., Mastrangelo, E., Milani, M., Bolognesi, M.
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
 
+
</div>
-
Description: Human Norovirus polymerase bound to Compound 6 (suramin derivative)
+
== References ==
 +
<references/>
 +
__TOC__
 +
</StructureSection>
 +
[[Category: Bolognesi, M.]]
 +
[[Category: Croci, R.]]
 +
[[Category: Mastrangelo, E.]]
 +
[[Category: Milani, M.]]
 +
[[Category: Pezzullo, M.]]
 +
[[Category: Tarantino, D.]]
 +
[[Category: Rna dependent rna polymerase]]
 +
[[Category: Viral protein-transcription inhibitor complex]]

Revision as of 10:45, 20 October 2014

Human Norovirus polymerase bound to Compound 6 (suramin derivative)

4nrt, resolution 2.02Å

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4nrt"
Personal tools