PDB: 7742 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
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
8EJ7	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: 2023-05-03 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
5LPS	tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group C2) 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: 1,2-ETHANEDIOL, 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, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-08-14 Release date: 2017-08-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer To be published
6YGR	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: 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: 2020-03-27 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Co-crystallization and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
5J9M	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-(methylamino)-1H-benzo[d]imidazole-5-carboxamide Descriptor: 1,2-ETHANEDIOL, 2-(methylamino)-1H-benzimidazole-5-carboxamide, CHLORIDE ION, ... 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 (1.33 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
6YH2	tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... 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 (1.19 Å) Cite: Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YGM	TGT W95F mutant labelled mit 5F-Trp crystallised at pH 5.5 Descriptor: 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 (1.23 Å) Cite: Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis To Be Published
6YGY	tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-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 (1.52 Å) Cite: Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YIQ	tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex (P2) 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, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-04-01 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YGV	tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex with (E)-N-ethyl-4-oxo-4-phenylbut-2-enamide Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... Authors: Nguyen, A, Heyder, L, Heine, A, Diederich, W, Klebe, G. Deposit date: 2020-03-27 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Ligands disturb dimer contacts To Be Published
6YGW	TGT W178F mutant labelled mit 5F-Trp crystallised at pH 5.5 Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... 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 (1.16 Å) Cite: Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis To Be Published
6YFW	TGT H333F mutant crystallised at pH 8.5 Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-26 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Mutation study on tRNA-guanine transglycosylase for catalysis Testing To Be Published
6YFX	TGT Y330F mutant crystallised at pH 5.5 Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-26 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Mutation study on tRNA-guanine transglycosylase for catalysis Testing To Be Published
6YGP	TGT WT 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 (1.33 Å) Cite: Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis To Be Published
6YGO	TGT W95F mutant labelled mit 5F-Trp 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 (1.26 Å) Cite: Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis To Be Published
6YHE	tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)ethyl)-2-(methylamino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one Descriptor: 4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-03-29 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
6YH1	tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan 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, 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 (1.55 Å) Cite: Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
5J9O	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 1-(2-(methylamino)-1H-benzo[d]imidazol-6-yl)guanidine Descriptor: CHLORIDE ION, GLYCEROL, N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine, ... 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 (1.41 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
6YRY	tRNA-Guanine Transglycosylase (TGT) H333A mutant crystallised at pH 5.5 Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION Authors: Nguyen, A, Heine, A, Klebe, G. Deposit date: 2020-04-20 Release date: 2020-04-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Mutation study on tRNA-guanine transglycosylase for catalysis testing To Be Published
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
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

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