5N0M
| hPAD4 crystal complex with BB-F-amidine | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
|
|
5N0Y
| hPAD4 crystal complex with AFM-30a | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
|
|
6G96
| Crystal structure of TacT3 (tRNA acetylating toxin) from Salmonella | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, BICINE, ... | Authors: | Grabe, G.J, Rycroft, J.A, Gollan, B, Hall, A, Cheverton, A.M, Larrouy-Maumus, G, Hare, S.A, Helaine, S. | Deposit date: | 2018-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4766078 Å) | Cite: | Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection. Nat Commun, 9, 2018
|
|
5N0Z
| hPAD4 crystal complex with AFM-41a | Descriptor: | 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
|
|
5N1B
| hPAD4 crystal complex with AFM-14a | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-06 | Release date: | 2017-05-24 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
|
|
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
|
|
2OBO
| Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | 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: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 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
|
|
6HTK
| X-ray structure of the tryptophan lyase NosL in complex with (R)-(+)-indoline-2-carboxylate | Descriptor: | 1H-indole-2-carboxylic acid, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ... | Authors: | Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc., 140, 2018
|
|
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
|
|
2OC0
| Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | 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 (2.3 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
|
|
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
|
|
5LQ6
| Salmonella effector SpvD - R161 variant | Descriptor: | SODIUM ION, Virulence protein vsdE | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
|
|
6ENF
| Cryo-EM structure of a polyproline-stalled ribosome in the absence of EF-P | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Huter, P, Arenz, S, Wilson, D.N. | Deposit date: | 2017-10-04 | Release date: | 2017-11-22 | Last modified: | 2018-01-31 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis for Polyproline-Mediated Ribosome Stalling and Rescue by the Translation Elongation Factor EF-P. Mol. Cell, 68, 2017
|
|
6HTM
| X-ray structure of the tryptophan lyase NosL in complex with bound tryptamin | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ... | Authors: | Amara, P, Mouesca, J.M, Bella, M, Saragaglia, C, Gambarelli, S, Nicolet, Y. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc., 140, 2018
|
|
5MGP
| Structural basis for ArfA-RF2 mediated translation termination on stop-codon lacking mRNAs | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Huter, P, Mueller, C, Beckert, B, Arenz, S, Berninghausen, O, Beckmann, R, Wilson, N.D. | Deposit date: | 2016-11-21 | Release date: | 2016-12-14 | Last modified: | 2017-08-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for ArfA-RF2-mediated translation termination on mRNAs lacking stop codons. Nature, 541, 2017
|
|
5LQ7
| Salmonella effector SpvD - G161 variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
|
|
6ENU
| Polyproline-stalled ribosome in the presence of elongation-factor P (EF-P) | Descriptor: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Huter, P, Arenz, S, Wilson, D.N. | Deposit date: | 2017-10-06 | Release date: | 2017-11-22 | Last modified: | 2018-01-31 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis for Polyproline-Mediated Ribosome Stalling and Rescue by the Translation Elongation Factor EF-P. Mol. Cell, 68, 2017
|
|
5MLC
| Cryo-EM structure of the spinach chloroplast ribosome reveals the location of plastid-specific ribosomal proteins and extensions | Descriptor: | 23S ribosomal RNA, chloroplastic, 4.8S ribosomal RNA, ... | Authors: | Graf, M, Arenz, S, Huter, P, Doenhoefer, A, Novacek, J, Wilson, D.N. | Deposit date: | 2016-12-06 | Release date: | 2016-12-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the spinach chloroplast ribosome reveals the location of plastid-specific ribosomal proteins and extensions. Nucleic Acids Res., 45, 2017
|
|
6HTO
| Tryptophan lyase 'empty state' | Descriptor: | 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | Authors: | Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y. | Deposit date: | 2018-10-04 | Release date: | 2018-11-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration. J.Am.Chem.Soc., 140, 2018
|
|
5NJT
| Structure of the Bacillus subtilis hibernating 100S ribosome reveals the basis for 70S dimerization. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Beckert, B, Abdelshahid, M, Schaefer, H, Steinchen, W, Arenz, S, Berninghausen, O, Beckmann, R, Bange, G, Turgay, K, Wilson, D.N. | Deposit date: | 2017-03-29 | Release date: | 2017-06-14 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the Bacillus subtilis hibernating 100S ribosome reveals the basis for 70S dimerization. EMBO J., 36, 2017
|
|
2LFV
| Solution Structure of the SPOR domain from E. coli DamX | Descriptor: | Protein damX | Authors: | Williams, K.B, Arends, S.J.R, Popham, D.L, Fowler, C.A, Weiss, D.S. | Deposit date: | 2011-07-15 | Release date: | 2012-07-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Solution Structure of the Peptidoglycan-Binding SPOR Domain from Escherichia coli DamX: Insights into Septal Localization. Biochemistry, 52, 2013
|
|
6H5Y
| PM1 mutant, 7D5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ... | Authors: | Munoz, I.G, De Salas, F, Camarero, S. | Deposit date: | 2018-07-25 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Advanced Synthesis of Conductive Polyaniline Using Laccase as Biocatalyst. PLoS ONE, 11, 2016
|
|
2JA3
| Cytoplasmic Domain of the Human Chloride Transporter ClC-5 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE CHANNEL PROTEIN 5 | Authors: | Meyer, S, Savaresi, S, Forster, I.C, Dutzler, R. | Deposit date: | 2006-11-21 | Release date: | 2007-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Nucleotide Recognition by the Cytoplasmic Domain of the Human Chloride Transporter Clc-5 Nat.Struct.Mol.Biol., 14, 2006
|
|
6QZI
| Crystal structure of human Aquaporin 7 at 1.9 A resolution | Descriptor: | Aquaporin-7, GLYCEROL, PHOSPHATE ION | Authors: | de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K. | Deposit date: | 2019-03-11 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7. Structure, 28, 2020
|
|