PDB: 7770 resultsInfo pagesStatus searchChemie searchBIRD

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8DJJ	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: 2022-06-30 Release date: 2023-04-26 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.51 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
8DI3	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: 2022-06-28 Release date: 2023-05-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.5 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
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
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
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
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
5LPP	tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group C2) 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: 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 (1.99 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
5LPQ	tRNA guanine Transglycosylase (TGT) in co-crystallized complex (space group P21) 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: 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 (2.52 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
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
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
5I03	tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 1,2-ETHANEDIOL, 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors 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
5I06	tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 1,2-ETHANEDIOL, 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors To be Published
5JGO	tRNA guanine Transglycosylase (TGT) in co-crystallized complex with allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Queuine tRNA-ribosyltransferase, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-04-20 Release date: 2017-05-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability 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
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
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
5I00	tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one Descriptor: 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors 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
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
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
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
5I09	tRNA guanine transglycosylase (TGT) in soaked complex with Furanoside-Based lin-Benzoguanine 3 Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... Authors: Ehrmann, F.R, Heine, A, Klebe, G. Deposit date: 2016-02-03 Release date: 2017-02-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors To be Published

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