2oc0: Difference between revisions

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[[Image:2oc0.png|left|200px]]
[[Image:2oc0.png|left|200px]]


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==About this Structure==
==About this Structure==
2OC0 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=2OC0 OCA].  
[[2oc0]] is a 4 chain structure with sequence 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=2OC0 OCA].  


==Reference==
==Reference==
Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl] - 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization., Prongay AJ, Guo Z, Yao N, Pichardo J, Fischmann T, Strickland C, Myers J Jr, Weber PC, Beyer BM, Ingram R, Hong Z, Prosise WW, Ramanathan L, Taremi SS, Yarosh-Tomaine T, Zhang R, Senior M, Yang RS, Malcolm B, Arasappan A, Bennett F, Bogen SL, Chen K, Jao E, Liu YT, Lovey RG, Saksena AK, Venkatraman S, Girijavallabhan V, Njoroge FG, Madison V, J Med Chem. 2007 May 17;50(10):2310-8. Epub 2007 Apr 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17444623 17444623]
<ref group="xtra">PMID:17444623</ref><ref group="xtra">PMID:8861917</ref><ref group="xtra">PMID:16087332</ref><ref group="xtra">PMID:16112859</ref><ref group="xtra">PMID:16112862</ref><ref group="xtra">PMID:16352601</ref><references group="xtra"/>
 
Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide., Kim JL, Morgenstern KA, Lin C, Fox T, Dwyer MD, Landro JA, Chambers SP, Markland W, Lepre CA, O'Malley ET, Harbeson SL, Rice CM, Murcko MA, Caron PR, Thomson JA, Cell. 1996 Oct 18;87(2):343-55. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8861917 8861917]
 
Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency., Arasappan A, Njoroge FG, Chan TY, Bennett F, Bogen SL, Chen K, Gu H, Hong L, Jao E, Liu YT, Lovey RG, Parekh T, Pike RE, Pinto P, Santhanam B, Venkatraman S, Vaccaro H, Wang H, Yang X, Zhu Z, Mckittrick B, Saksena AK, Girijavallabhan V, Pichardo J, Butkiewicz N, Ingram R, Malcolm B, Prongay A, Yao N, Marten B, Madison V, Kemp S, Levy O, Lim-Wilby M, Tamura S, Ganguly AK, Bioorg Med Chem Lett. 2005 Oct 1;15(19):4180-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16087332 16087332]
 
Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease., Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16112859 16112859]
 
Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency., Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16112862 16112862]
 
Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations., Yi M, Tong X, Skelton A, Chase R, Chen T, Prongay A, Bogen SL, Saksena AK, Njoroge FG, Veselenak RL, Pyles RB, Bourne N, Malcolm BA, Lemon SM, J Biol Chem. 2006 Mar 24;281(12):8205-15. Epub 2005 Dec 13. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16352601 16352601]
[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: Protein complex]]
[[Category: Arasappan, A.]]
[[Category: Arasappan, A.]]
[[Category: Bennett, F.]]
[[Category: Bennett, F.]]
Line 51: Line 39:
[[Category: Madison, V.]]
[[Category: Madison, V.]]
[[Category: Malcolm, B.]]
[[Category: Malcolm, B.]]
[[Category: Myers, Jr., J.]]
[[Category: Myers,, J.]]
[[Category: Njoroge, F G.]]
[[Category: Njoroge, F G.]]
[[Category: Pichardo, J.]]
[[Category: Pichardo, J.]]
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[[Category: Ns3 protease domain]]
[[Category: Ns3 protease domain]]
[[Category: Viral protein]]
[[Category: Viral protein]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 21:45:49 2008''

Revision as of 21:28, 14 March 2011

File:2oc0.png

Template:STRUCTURE 2oc0

Structure of NS3 complexed with a ketoamide inhibitor SCh491762Structure of NS3 complexed with a ketoamide inhibitor SCh491762

Template:ABSTRACT PUBMED 17444623

About this StructureAbout this Structure

2oc0 is a 4 chain structure with sequence from Hepatitis c virus. Full crystallographic information is available from OCA.

ReferenceReference

[xtra 1][xtra 2][xtra 3][xtra 4][xtra 5][xtra 6]

  1. ↑ Prongay AJ, Guo Z, Yao N, Pichardo J, Fischmann T, Strickland C, Myers J Jr, Weber PC, Beyer BM, Ingram R, Hong Z, Prosise WW, Ramanathan L, Taremi SS, Yarosh-Tomaine T, Zhang R, Senior M, Yang RS, Malcolm B, Arasappan A, Bennett F, Bogen SL, Chen K, Jao E, Liu YT, Lovey RG, Saksena AK, Venkatraman S, Girijavallabhan V, Njoroge FG, Madison V. Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl] - 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J Med Chem. 2007 May 17;50(10):2310-8. Epub 2007 Apr 20. PMID:17444623 doi:10.1021/jm060173k
  2. ↑ Kim JL, Morgenstern KA, Lin C, Fox T, Dwyer MD, Landro JA, Chambers SP, Markland W, Lepre CA, O'Malley ET, Harbeson SL, Rice CM, Murcko MA, Caron PR, Thomson JA. Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide. Cell. 1996 Oct 18;87(2):343-55. PMID:8861917
  3. ↑ Arasappan A, Njoroge FG, Chan TY, Bennett F, Bogen SL, Chen K, Gu H, Hong L, Jao E, Liu YT, Lovey RG, Parekh T, Pike RE, Pinto P, Santhanam B, Venkatraman S, Vaccaro H, Wang H, Yang X, Zhu Z, Mckittrick B, Saksena AK, Girijavallabhan V, Pichardo J, Butkiewicz N, Ingram R, Malcolm B, Prongay A, Yao N, Marten B, Madison V, Kemp S, Levy O, Lim-Wilby M, Tamura S, Ganguly AK. Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency. Bioorg Med Chem Lett. 2005 Oct 1;15(19):4180-4. PMID:16087332 doi:10.1016/j.bmcl.2005.06.091
  4. ↑ Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V. Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:16112859 doi:10.1016/j.bmcl.2005.07.033
  5. ↑ Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V. Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:16112862 doi:10.1016/j.bmcl.2005.07.009
  6. ↑ Yi M, Tong X, Skelton A, Chase R, Chen T, Prongay A, Bogen SL, Saksena AK, Njoroge FG, Veselenak RL, Pyles RB, Bourne N, Malcolm BA, Lemon SM. Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations. J Biol Chem. 2006 Mar 24;281(12):8205-15. Epub 2005 Dec 13. PMID:16352601 doi:10.1074/jbc.M510246200

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