2oc0

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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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