2f9u: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older edit
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
 
(13 intermediate revisions by the same user not shown)
Line 1: Line 1:
[[Image:2f9u.gif|left|200px]]
<!--
The line below this paragraph, containing "STRUCTURE_2f9u", creates the "Structure Box" on the page.
You may change the PDB parameter (which sets the PDB file loaded into the applet)
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
or leave the SCENE parameter empty for the default display.
-->
{{STRUCTURE_2f9u|  PDB=2f9u  |  SCENE=  }}
'''HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane'''


==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==
<StructureSection load='2f9u' size='340' side='right'caption='[[2f9u]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2f9u]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_hominis Hepacivirus hominis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NH:tert-butyl+N-[(1S)-1-cyclohexyl-2-[(1S,4R,6S)-6-[[(3S)-1-[[2-[[(1S)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1,2-dioxo-heptan-3-yl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxo-ethyl]carbamate'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [https://pdbe.org/2f9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [https://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f9/2f9u_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2f9u ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections.


==Overview==
Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid.,Venkatraman S, Njoroge FG, Wu W, Girijavallabhan V, Prongay AJ, Butkiewicz N, Pichardo J Bioorg Med Chem Lett. 2006 Mar 15;16(6):1628-32. Epub 2006 Jan 18. PMID:16413182<ref>PMID:16413182</ref>
Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
2F9U is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA].
</div>
<div class="pdbe-citations 2f9u" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid., Venkatraman S, Njoroge FG, Wu W, Girijavallabhan V, Prongay AJ, Butkiewicz N, Pichardo J, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1628-32. Epub 2006 Jan 18. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16413182 16413182]
*[[Helicase 3D structures|Helicase 3D structures]]
[[Category: Hepatitis c virus]]
*[[Virus protease 3D structures|Virus protease 3D structures]]
[[Category: Protein complex]]
== References ==
[[Category: Butkiewicz, N.]]
<references/>
[[Category: Girijavallabhan, V.]]
__TOC__
[[Category: Njoroge, F G.]]
</StructureSection>
[[Category: Pichardo, J.]]
[[Category: Hepacivirus hominis]]
[[Category: Prongay, A J.]]
[[Category: Large Structures]]
[[Category: Venkatraman, S.]]
[[Category: Butkiewicz N]]
[[Category: Wu, W.]]
[[Category: Girijavallabhan V]]
[[Category: Hcv]]
[[Category: Njoroge FG]]
[[Category: Hepatitis c protease]]
[[Category: Pichardo J]]
[[Category: Ketoamide inhibitor]]
[[Category: Prongay AJ]]
[[Category: Ns3 protease]]
[[Category: Venkatraman S]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 03:38:29 2008''
[[Category: Wu W]]
Retrieved from "https://proteopedia.org/2f9u"