1W3C
Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor
Summary for 1W3C
| Entry DOI | 10.2210/pdb1w3c/pdb |
| Descriptor | PROTEASE/HELICASE NS3 (P70), NONSTRUCTURAL PROTEIN NS4A (P4), 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, ... (5 entities in total) |
| Functional Keywords | hydrolase, serine protease, hcv, indoline-based peptidomimetic inhibitor |
| Biological source | HEPATITIS C VIRUS (ISOLATE 1) More |
| Total number of polymer chains | 4 |
| Total formula weight | 44006.50 |
| Authors | Di Marco, S.,Volpari, C. (deposition date: 2004-07-14, release date: 2004-12-09, Last modification date: 2024-10-23) |
| Primary citation | Ontoria, J.M.,Di Marco, S.,Conte, I.,Di Francesco, M.E.,Gardelli, C.,Koch, U.,Matassa, V.G.,Poma, M.,Steinkuhler, C.,Volpari, C.,Harper, S. The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease J.Med.Chem., 47:6443-, 2004 Cited by PubMed Abstract: The design of a series of peptidomimetic inhibitors of the hepatitis C virus NS3 protease is described. These inhibitors feature an indoline-2-carboxamide as a novel heterocyclic replacement for the P3 amino acid residue and N-terminal capping group of tripeptide based inhibitors. The crystal structure of the ternary NS3/NS4A/inhibitor complex for the most active molecule in this series highlights its suitability as an N-terminal capping group of a dipeptide inhibitor of the NS3 protease. PubMed: 15588076DOI: 10.1021/JM049435D PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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