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5J9N	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-(methylamino)-1H-benzo[d]imidazole-5-carbohydrazide Descriptor: 2-(methylamino)-1H-benzimidazole-5-carbohydrazide, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-04-10 Release date: 2017-05-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines. To be Published
5JT7	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 1-(2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazol-6-yl)guanidine Descriptor: GLYCEROL, N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine, Queuine tRNA-ribosyltransferase, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-05-09 Release date: 2017-05-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines. To be Published
5JT5	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazole-5-carboxamide Descriptor: 1,2-ETHANEDIOL, 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide, CHLORIDE ION, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-05-09 Release date: 2017-05-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.21 Å) Cite: Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines. To be Published
5JT6	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazole-5-carbohydrazide Descriptor: 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carbohydrazide, CHLORIDE ION, GLYCEROL, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-05-09 Release date: 2017-05-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines. To be Published
5EGR	tRNA guanine transglycosylase (TGT) in complex with an Immucillin derivative Descriptor: 1,2-ETHANEDIOL, 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2015-10-27 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Synthesis of an Immucillin Derivative as a Class of tRNA-Guanine Transglycosylase Inhibitors: Exploration of a Transition State Analogous Binding Mode To be Published
8DKZ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-06 Release date: 2023-04-26 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKK	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-05 Release date: 2023-05-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DMN	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-08 Release date: 2023-05-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DK8	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-04 Release date: 2023-05-17 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.6 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKH	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-05 Release date: 2023-05-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.95 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKJ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-05 Release date: 2023-05-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.11 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
8DKL	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. Deposit date: 2022-07-05 Release date: 2023-05-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
6H7C	tRNA guanine transglycosylase H333A mutant apo structure Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, T.X.P, Heine, A, Klebe, G. Deposit date: 2018-07-31 Release date: 2019-08-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.681 Å) Cite: tRNA guanine transglycosylase H333A mutant apo structure To Be Published
5JGM	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with ethyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... Authors: Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. Deposit date: 2016-04-20 Release date: 2017-05-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability To be Published
5I02	tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ... Authors: Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors To be Published
5I07	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 1,2-ETHANEDIOL, 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... Authors: Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors To be Published
3UNT	tRNA-guanine transglycosylase E339Q mutant Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Jakobi, S, Heine, A, Klebe, G. Deposit date: 2011-11-16 Release date: 2012-11-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Hot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzyme. Proteins, 82, 2014
8EJ9	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates Descriptor: 3C-like proteinase nsp5 Authors: Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. Deposit date: 2022-09-16 Release date: 2023-04-26 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
6YGK	TGT Y330F mutant crystallised at pH 8.5 Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-27 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Mutation study on tRNA-guanine transglycosylase for catalysis Testing To Be Published
6YGZ	tRNA Guanine Transglycosylase (TGT) labelled with 5-fluoro-tryptophan in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-28 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YGL	TGT W326F mutant labelled mit 5F-Trp crystallised at pH 5.5 Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-27 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis To Be Published
6YGX	tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxytetrahydro-2H-pyran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one Descriptor: 6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-27 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YH3	tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-28 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YGS	tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-27 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Co-crystallization and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YHD	tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)ethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-28 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published

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