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PDB: 173 件
7A4K
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BU of 7a4k by Molmil
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
4H7Z
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BU of 4h7z by Molmil
tRNA-guanine transglycosylase Y106F, C158V mutant in complex with guanine
分子名称: GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ...
著者Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-09-21
公開日2012-10-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
3RR4
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BU of 3rr4 by Molmil
tRNA-Guanine Transglycosylase in complex with N-Methyl-lin-Benzoguanine Inhibitor
分子名称: 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Klebe, G, Immekus, F, Heine, A.
登録日2011-04-29
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
6H7C
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BU of 6h7c by Molmil
tRNA guanine transglycosylase H333A mutant apo structure
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, T.X.P, Heine, A, Klebe, G.
登録日2018-07-31
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献tRNA guanine transglycosylase H333A mutant apo structure
To Be Published
2QII
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BU of 2qii by Molmil
Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0
分子名称: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Tidten, N, Brenk, R, Heine, A, Reuter, K, Klebe, G.
登録日2007-07-04
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Glutamate versus glutamine exchange swaps substrate selectivity in tRNA-guanine transglycosylase: insight into the regulation of substrate selectivity by kinetic and crystallographic studies.
J.Mol.Biol., 374, 2007
5JT7
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BU of 5jt7 by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 1-(2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazol-6-yl)guanidine
分子名称: GLYCEROL, N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine, Queuine tRNA-ribosyltransferase, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
6YGR
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BU of 6ygr by Molmil
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
7A3V
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BU of 7a3v by Molmil
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
1K4G
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BU of 1k4g by Molmil
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE
分子名称: 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Brenk, R, Meyer, E.A, Castellano, R.K, Furler, M, Stubbs, M.T, Klebe, G, Diederich, F.
登録日2001-10-08
公開日2002-04-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献De novo design, synthesis, and in vitro evaluation of inhibitors for prokaryotic tRNA-guanine transglycosylase: a dramatic sulfur effect on binding affinity.
ChemBioChem, 3, 2002
1P0B
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BU of 1p0b by Molmil
Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0
分子名称: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
登録日2003-04-10
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
1PXG
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BU of 1pxg by Molmil
Crystal structure of the mutated tRNA-guanine transglycosylase (TGT) D280E complexed with preQ1
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Kittendorf, J.D, Sgraja, T, Reuter, K, Klebe, G, Garcia, G.A.
登録日2003-07-04
公開日2003-09-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An essential role for aspartate 264 in catalysis by tRNA-guanine transglycosylase from Escherichia coli.
J.Biol.Chem., 278, 2003
2BBF
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BU of 2bbf by Molmil
Crystal structure of tRNA-guanine transglycosylase (TGT) from Zymomonas mobilis in complex with 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ZINC ION, tRNA guanine transglycosylase
著者Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G.
登録日2005-10-17
公開日2007-04-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding.
J.Mol.Biol., 370, 2007
4L56
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BU of 4l56 by Molmil
tRNA guanine transglycosylase H333D mutant apo structure
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, T.X.P, Heine, A, Klebe, G.
登録日2013-06-10
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献What Glues a Homodimer Together: Systematic Analysis of the Stabilizing Effect of an Aromatic Hot Spot in the Protein-Protein Interface of the tRNA-Modifying Enzyme Tgt.
Acs Chem.Biol., 10, 2015
2PWV
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BU of 2pwv by Molmil
tRNA guanine transglycosylase E235Q mutant in complex with preQ0
分子名称: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Tidten, N, Stengl, B, Heine, A, Reuter, K, Klebe, G.
登録日2007-05-13
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
4Q8Q
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BU of 4q8q by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant V262C in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
著者Neeb, M, Heine, A, Klebe, G.
登録日2014-04-28
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
5I03
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BU of 5i03 by Molmil
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
分子名称: 1,2-ETHANEDIOL, 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
4FR1
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BU of 4fr1 by Molmil
tRNA-Guanine Transglycosylase cocrystallized with alkine-substituted lin-benzoguanine ligand
分子名称: 6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
著者Immekus, F, Klebe, G.
登録日2012-06-26
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Studies on TGT homodimer interface
To be Published
6RKT
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BU of 6rkt by Molmil
Crystal Structure of TGT in complex with N2-methyl-1H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Hassaan, E, Heine, A, Klebe, G.
登録日2019-04-30
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT.
J.Med.Chem., 63, 2020
4GIY
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BU of 4giy by Molmil
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
分子名称: 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
著者Immekus, F, Klebe, G.
登録日2012-08-09
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two-armed benzopurine inhibitors of TGT
To be Published
1Q66
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CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-AMINO-6-AMINOMETHYL-8-phenylsulfanylmethyl-3H-QUINAZOLIN-4-ONE crystallized at pH 5.5
分子名称: 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
登録日2003-08-12
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
7A9E
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BU of 7a9e by Molmil
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
7A0B
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BU of 7a0b by Molmil
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2024-01-31
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
2PWU
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BU of 2pwu by Molmil
tRNA guanine transglycosylase in complex with guanine
分子名称: GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ...
著者Tidten, N, Heine, A, Reuter, K, Klebe, G.
登録日2007-05-13
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
3C2Y
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BU of 3c2y by Molmil
tRNA-Guanine Transglycosylase (TGT) in complex with 6-Amino-2-methyl-1,7-dihydro-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Ritschel, T, Heine, A, Klebe, G.
登録日2008-01-26
公開日2009-02-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT
Chembiochem, 10, 2009
3EOS
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BU of 3eos by Molmil
tRNA-guanine transglycosylase in complex with 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Ritschel, T, Heine, A, Klebe, G.
登録日2008-09-29
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase
Chemmedchem, 4, 2009

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