2OBQ
 
 | | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | | Descriptor: | Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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., 50, 2007
|
|
2OIN
 | | crystal structure of HCV NS3-4A R155K mutant | | Descriptor: | NS4A peptide, Polyprotein, ZINC ION | | Authors: | Wei, Y. | | Deposit date: | 2007-01-11 | | Release date: | 2007-06-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.
J.Biol.Chem., 282, 2007
|
|
1A1R
 | | HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX | | Descriptor: | NS3 PROTEIN, NS4A PROTEIN, ZINC ION | | Authors: | Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A. | | Deposit date: | 1997-12-15 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Cell(Cambridge,Mass.), 87, 1996
|
|
5JZI
 | | Crystal structure of 1406 TCR bound to HLA-A2 with HCV 1406-1415 antigen peptide | | Descriptor: | Beta-2-microglobulin, HCV1406 TCR alpha chain, HCV1406 TCR beta chain, ... | | Authors: | Wang, Y, Piepenbrink, K.H, Baker, B.M. | | Deposit date: | 2016-05-16 | | Release date: | 2017-05-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | How an alloreactive T-cell receptor achieves peptide and MHC specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7DUU
 | | Crystal structure of HLA molecule with an KIR receptor | | Descriptor: | Beta-2-microglobulin, Killer cell immunoglobulin-like receptor 2DS2, LEU-ASN-PRO-SER-VAL-ALA-ALA-THR-LEU, ... | | Authors: | Yang, Y, Yin, L. | | Deposit date: | 2021-01-11 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Activating receptor KIR2DS2 bound to HLA-C1 reveals the novel recognition features of activating receptor.
Immunology, 165, 2022
|
|
1N1L
 | | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) | | Descriptor: | HCV NS3 SERINE PROTEASE, NS4A COFACTOR, ZINC ION, ... | | Authors: | Andrews, D.M, Chaignot, H, Coomber, B.A, Good, A.C, Hind, S.L, Jones, P.S, Mill, G, Robinson, J.E, Skarzynski, T, Slater, M.J, Somers, D.O.N. | | Deposit date: | 2002-10-18 | | Release date: | 2003-10-21 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents
Org.Lett., 4, 2002
|
|
2F9V
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2005-12-06 | | Release date: | 2007-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
6WO5
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody 212.1.1 and non neutralizing antibody E1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2020-04-24 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.619 Å) | | Cite: | An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
|
|
4MWF
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core bound to broadly neutralizing antibody AR3C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | | Authors: | Kong, L, Wilson, I.A, Law, M. | | Deposit date: | 2013-09-24 | | Release date: | 2013-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | Hepatitis C virus e2 envelope glycoprotein core structure.
Science, 342, 2013
|
|
6BZV
 | | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody 19B3 | | Descriptor: | 19B3 GL Heavy Chain, 19B3 GL Light Chain, E2 AS412 peptide | | Authors: | Tzarum, N, Aleman, F, Wilson, I.A, Law, M. | | Deposit date: | 2017-12-26 | | Release date: | 2018-06-20 | | Last modified: | 2022-02-02 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2OC8
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | 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., 50, 2007
|
|
2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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., 50, 2007
|
|
6BZU
 | | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody 19B3 | | Descriptor: | 19B3 Heavy Chain, 19B3 Light Chain, E2 AS412 peptide | | Authors: | Tzarum, N, Aleman, F, Kong, L, Wilson, I.A, Law, M. | | Deposit date: | 2017-12-26 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2OC1
 | | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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., 50, 2007
|
|
5YXU
 | |
1RGQ
 | | M9A HCV Protease complex with pentapeptide keto-amide inhibitor | | Descriptor: | N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE, NS3 Protease, NS4A peptide, ... | | Authors: | Liu, Y, Stoll, V.S, Richardson, P.L, Saldivar, A, Klaus, J.L, Molla, A, Kohlbrenner, W, Kati, W.M. | | Deposit date: | 2003-11-12 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure.
Arch.Biochem.Biophys., 421, 2004
|
|
5ERW
 | |
4Q0X
 | |
2P59
 | | Crystal Structure of Hepatitis C Virus NS3.4A protease | | Descriptor: | (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, NS3, peptide | | Authors: | Perni, R.B, Wei, Y. | | Deposit date: | 2007-03-14 | | Release date: | 2008-02-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
6WOQ
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody HC1AM and non neutralizing antibody E1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2020-04-25 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.667 Å) | | Cite: | An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
|
|
2JXF
 | | The solution structure of HCV NS4B(40-69) | | Descriptor: | Genome polyprotein | | Authors: | Montserret, R, Penin, F. | | Deposit date: | 2007-11-19 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Identification of a Novel Determinant for Membrane Association in Hepatitis C Virus Nonstructural Protein 4B
J.Virol., 83, 2009
|
|
1ONB
 | |
1R7E
 | | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure. Sample in 100mM SDS). | | Descriptor: | Genome polyprotein | | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | | Deposit date: | 2003-10-21 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
|
|
1JR6
 | |
