4JKT
| Crystal structure of mouse Glutaminase C, BPTES-bound form | Descriptor: | Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | Authors: | Fornezari, C, Ferreira, A.P.S, Dias, S.M.G, Ambrosio, A.L.B. | Deposit date: | 2013-03-11 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Active Glutaminase C Self-assembles into a Supratetrameric Oligomer That Can Be Disrupted by an Allosteric Inhibitor. J.Biol.Chem., 288, 2013
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3IOP
| PDK-1 in complex with the inhibitor Compound-8i | Descriptor: | 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1 | Authors: | Olland, A.M. | Deposit date: | 2009-08-14 | Release date: | 2010-02-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1). Eur.J.Med.Chem., 45, 2010
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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
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2XI3
| HCV-H77 NS5B Polymerase Complexed With GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA-directed RNA polymerase | Authors: | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | Deposit date: | 2010-06-25 | Release date: | 2010-08-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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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
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1ZH1
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1Z5Y
| Crystal Structure Of The Disulfide-Linked Complex Between The N-Terminal Domain Of The Electron Transfer Catalyst DsbD and The Cytochrome c Biogenesis Protein CcmG | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Thiol:disulfide interchange protein dsbD, ... | Authors: | Stirnimann, C.U, Rozhkova, A, Grauschopf, U, Gruetter, M.G, Glockshuber, R, Capitani, G. | Deposit date: | 2005-03-21 | Release date: | 2005-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural Basis and Kinetics of DsbD-Dependent Cytochrome c Maturation STRUCTURE, 13, 2005
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3EA3
| Crystal Structure of the Y246S/Y247S/Y248S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis | Descriptor: | 1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION | Authors: | Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F. | Deposit date: | 2008-08-24 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface. J.Biol.Chem., 284, 2009
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1OHM
| Sakacin P variant that is structurally stabilized by an inserted C-terminal disulfide bridge. | Descriptor: | BACTERIOCIN SAKACIN P | Authors: | Uteng, M, Hauge, H.H, Markwick, P.R, Fimland, G, Mantzilas, D, Nissen-Meyer, J, Muhle-Goll, C. | Deposit date: | 2003-05-28 | Release date: | 2003-09-22 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Three-Dimensional Structure in Lipid Micelles of the Pediocin-Like Antimicrobial Peptide Sakacin P and a Sakacin P Variant that is Structurally Stabilized by an Inserted C-Terminal Disulfide Bridge Biochemistry, 42, 2003
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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
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1XX0
| Structure of the C-terminal PH domain of human pleckstrin | Descriptor: | Pleckstrin | Authors: | Edlich, C, Stier, G, Simon, B, Sattler, M, Muhle-Goll, C. | Deposit date: | 2004-11-03 | Release date: | 2005-05-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and phosphatidylinositol-(3,4)-bisphosphate binding of the C-terminal PH domain of human pleckstrin STRUCTURE, 13, 2005
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2X4A
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2P33
| Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors | Descriptor: | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide, c-Jun N-terminal kinase 3 | Authors: | Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Sharpe, A. | Deposit date: | 2007-03-08 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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1O0L
| THE STRUCTURE OF BCL-W REVEALS A ROLE FOR THE C-TERMINAL RESIDUES IN MODULATING BIOLOGICAL ACTIVITY | Descriptor: | Apoptosis regulator Bcl-W | Authors: | Hinds, M.G, Lackmann, M, Skea, G.L, Harrison, P.J, Huang, D.C.S, Day, C.L. | Deposit date: | 2003-02-22 | Release date: | 2003-04-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of Bcl-w reveals a role for the C-terminal residues in modulating biological activity Embo J., 22, 2003
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3OUQ
| Structure of N-terminal hexaheme fragment of GSU1996 | Descriptor: | Cytochrome c family protein, HEME C | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2010-09-15 | Release date: | 2010-12-29 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a novel dodecaheme cytochrome c from Geobacter sulfurreducens reveals an extended 12nm protein with interacting hemes. J.Struct.Biol., 174, 2011
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1ZUB
| Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide | Descriptor: | ELKS1b, Regulating synaptic membrane exocytosis protein 1 | Authors: | Lu, J, Li, H, Wang, Y, Sudhof, T.C, Rizo, J. | Deposit date: | 2005-05-30 | Release date: | 2005-08-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide J.Mol.Biol., 352, 2005
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2AVF
| Crystal Structure of C-terminal Desundecapeptide Nitrite Reductase from Achromobacter cycloclastes | Descriptor: | CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Li, H.T, Chang, T, Chang, W.C, Chen, C.J, Liu, M.Y, Gui, L.L, Zhang, J.P, An, X.M, Chang, W.R. | Deposit date: | 2005-08-30 | Release date: | 2005-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of C-terminal desundecapeptide nitrite reductase from Achromobacter cycloclastes Biochem.Biophys.Res.Commun., 338, 2005
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2X49
| Crystal structure of the C-terminal domain of InvA | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, INVASION PROTEIN INVA, ... | Authors: | Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2010-01-28 | Release date: | 2010-03-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the C-Terminal Domain of the Salmonella Type III Secretion System Export Apparatus Protein Inva. Protein Sci., 19, 2010
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1UX6
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1KIB
| cytochrome c6 from Arthrospira maxima: an assembly of 24 subunits in the form of an oblate shell | Descriptor: | HEME C, cytochrome c6 | Authors: | Kerfeld, C.A, Sawaya, M.R, Krogmann, D, Yeates, T.O. | Deposit date: | 2001-12-03 | Release date: | 2002-07-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of cytochrome c6 from Arthrospira maxima: an assembly of 24 subunits in a nearly symmetric shell. Acta Crystallogr.,Sect.D, 58, 2002
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3EA2
| Crystal Structure of the Myo-inositol bound Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION | Authors: | Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F. | Deposit date: | 2008-08-24 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface. J.Biol.Chem., 284, 2009
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3SU6
| Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir | Descriptor: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, GLYCEROL, NS3 protease, ... | Authors: | Schiffer, C.A, Romano, K.P. | Deposit date: | 2011-07-11 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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2YOJ
| HCV NS5B polymerase complexed with pyridonylindole compound | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | Deposit date: | 2012-10-24 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate Acs Med.Chem.Lett., 5, 2014
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3SUD
| Crystal structure of NS3/4A protease in complex with MK-5172 | Descriptor: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ... | Authors: | Schiffer, C.A, Romano, K.P. | Deposit date: | 2011-07-11 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3BUN
| Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Sprouty4 | Descriptor: | 13-meric peptide from Protein sprouty homolog 4, E3 ubiquitin-protein ligase CBL | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | Deposit date: | 2008-01-03 | Release date: | 2008-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates Embo J., 27, 2008
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