2p59
From Proteopedia
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|PDB= 2p59 |SIZE=350|CAPTION= <scene name='initialview01'>2p59</scene>, resolution 2.900Å | |PDB= 2p59 |SIZE=350|CAPTION= <scene name='initialview01'>2p59</scene>, resolution 2.900Å | ||
|SITE= <scene name='pdbsite=AC1:Gg4+Binding+Site+For+Residue+B+1208'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Gg4+Binding+Site+For+Residue+B+1208'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=GG4:'>GG4</scene> | + | |LIGAND= <scene name='pdbligand=GG4:(2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE'>GG4</scene> |
|ACTIVITY= | |ACTIVITY= | ||
| - | |GENE= NS3 protease domain ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id= | + | |GENE= NS3 protease domain ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus]) |
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2p59 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2p59 OCA], [http://www.ebi.ac.uk/pdbsum/2p59 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2p59 RCSB]</span> | ||
}} | }} | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2P59 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ | + | 2P59 is a [[Single protein]] structure of 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=2P59 OCA]. |
==Reference== | ==Reference== | ||
Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics., Perni RB, Chandorkar G, Cottrell KM, Gates CA, Lin C, Lin K, Luong YP, Maxwell JP, Murcko MA, Pitlik J, Rao G, Schairer WC, Van Drie J, Wei Y, Bioorg Med Chem Lett. 2007 Jun 15;17(12):3406-11. Epub 2007 Apr 3. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17482818 17482818] | Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics., Perni RB, Chandorkar G, Cottrell KM, Gates CA, Lin C, Lin K, Luong YP, Maxwell JP, Murcko MA, Pitlik J, Rao G, Schairer WC, Van Drie J, Wei Y, Bioorg Med Chem Lett. 2007 Jun 15;17(12):3406-11. Epub 2007 Apr 3. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17482818 17482818] | ||
| - | [[Category: | + | [[Category: Hepatitis c virus]] |
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Perni, R B.]] | [[Category: Perni, R B.]] | ||
[[Category: Wei, Y.]] | [[Category: Wei, Y.]] | ||
| - | [[Category: GG4]] | ||
[[Category: hcv protease]] | [[Category: hcv protease]] | ||
[[Category: viral protein]] | [[Category: viral protein]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:29:49 2008'' |
Revision as of 01:29, 31 March 2008
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| , resolution 2.900Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| Gene: | NS3 protease domain (Hepatitis C virus) | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of Hepatitis C Virus NS3.4A protease
Overview
Reversible tetrapeptide-based compounds have been shown to effectively inhibit the hepatitis C virus NS3.4A protease. Inhibition of viral replicon RNA production in Huh-7 cells has also been demonstrated. We show herein that the inclusion of hydrogen bond donors on the P4 capping group of tetrapeptide-based inhibitors result in increased binding potency to the NS3.4A protease. The capping groups also impart significant effects on the pharmacokinetic profile of these inhibitors.
About this Structure
2P59 is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.
Reference
Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics., Perni RB, Chandorkar G, Cottrell KM, Gates CA, Lin C, Lin K, Luong YP, Maxwell JP, Murcko MA, Pitlik J, Rao G, Schairer WC, Van Drie J, Wei Y, Bioorg Med Chem Lett. 2007 Jun 15;17(12):3406-11. Epub 2007 Apr 3. PMID:17482818
Page seeded by OCA on Mon Mar 31 04:29:49 2008
