6YOS
| Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide | 分子名称: | 14-3-3 protein zeta/delta, Glucocorticoid receptor,Glucocorticoid receptor | 著者 | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | 登録日 | 2020-04-15 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J.Biol.Chem., 296, 2021
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5SW3
| Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) | 分子名称: | 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Hassaan, E, Heine, A, Klebe, G. | 登録日 | 2016-08-08 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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5TXH
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5UTJ
| Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine | 分子名称: | 8-AZAXANTHINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Hassaan, E, Heine, A, Klebe, G. | 登録日 | 2017-02-15 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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7A3V
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-08-18 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A3X
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane | 分子名称: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-08-18 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A6D
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol | 分子名称: | (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-08-25 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A4K
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide | 分子名称: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-08-19 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A4X
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G. | 登録日 | 2020-08-20 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7ADN
| apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant | 分子名称: | FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Nguyen, D, You, S, Heine, A, Klebe, G. | 登録日 | 2020-09-15 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A0B
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane | 分子名称: | (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-08-07 | 公開日 | 2021-06-16 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A9E
| tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | 分子名称: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | 著者 | Nguyen, D, You, S, Heine, A, Klebe, G. | 登録日 | 2020-09-01 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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6Z0D
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6YYZ
| tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, Queuine tRNA-ribosyltransferase, ZINC ION | 著者 | Nguyen, A, Heine, A, Klebe, G. | 登録日 | 2020-05-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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5V3C
| Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ... | 著者 | Hassaan, E, Heine, A, Klebe, G. | 登録日 | 2017-03-07 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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7APM
| tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | 分子名称: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-10-18 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance. Angew.Chem.Int.Ed.Engl., 60, 2021
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7APL
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5TXJ
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5UTI
| Crystal Structure of TGT in complex with fragment in preQ1 pocket | 分子名称: | DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ... | 著者 | Hassaan, E, Heine, A, Klebe, G. | 登録日 | 2017-02-15 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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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 | 分子名称: | 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, ... | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | 登録日 | 2016-08-14 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer To be published
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5N6F
| Crystal structure of TGT in complex with guanine fragment | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GUANINE, ... | 著者 | Hassaan, E, Heine, A, Klebe, G. | 登録日 | 2017-02-15 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.11909521 Å) | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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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 | 分子名称: | 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 | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | 登録日 | 2016-08-14 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer To be published
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5LPO
| tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | 分子名称: | 1,2-ETHANEDIOL, 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, GLYCEROL, ... | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | 登録日 | 2016-08-14 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer To be published
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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 | 分子名称: | 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 | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | 登録日 | 2016-08-14 | 公開日 | 2017-08-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer To be published
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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 | 分子名称: | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | 著者 | Nguyen, A, Heine, A, Klebe, G. | 登録日 | 2020-03-27 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Co-crystallization and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
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