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PDB: 1641 件

4FSA
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BU of 4fsa by Molmil
tRNA-Guanine Transglycosylase soaked with pyridyl-alkine-substituted lin-benzoguanine ligand
分子名称: 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Immekus, F, Klebe, G.
登録日2012-06-27
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Studies on TGT homodimer interface
To be Published
6ZGO
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BU of 6zgo by Molmil
Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-06-19
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
To be published
4GI4
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BU of 4gi4 by Molmil
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
分子名称: 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-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2012-08-08
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Two-armed benzopurine inhibitors of TGT
To be Published
4GG9
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BU of 4gg9 by Molmil
tRNA Guanine Transglycosylase in complex with thiophene-substituted lin-benzohypoxanthine inhibitor
分子名称: 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Immekus, F, Klebe, G.
登録日2012-08-06
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Two-armed benzopurine inhibitors of TGT
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
7A3X
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BU of 7a3x by Molmil
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
7A6D
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BU of 7a6d by Molmil
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
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
7A4X
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BU of 7a4x by Molmil
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
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
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
6ZQ2
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BU of 6zq2 by Molmil
Cationic trypsin in complex with a derivative of benzamidine
分子名称: CALCIUM ION, Cationic trypsin, D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-07-09
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Cationic trypsin in complex with a derivative of benzamidine
To be published
4GH3
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BU of 4gh3 by Molmil
tRNA Guanine Transglycosylase in complex with phenethyl substituted lin-benzohypoxanthine inhibitor
分子名称: 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2012-08-07
公開日2013-09-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Two-armed benzopurine inhibitors of TGT
To be Published
4GKT
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BU of 4gkt by Molmil
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
分子名称: 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Immekus, F, Klebe, G.
登録日2012-08-13
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Two-armed benzopurine inhibitors of TGT
To be Published
6ZZ2
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BU of 6zz2 by Molmil
Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
著者Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H.
登録日2020-08-03
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14885437 Å)
主引用文献Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
To Be Published
7AC9
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BU of 7ac9 by Molmil
Thrombin in complex with D-arginine (j77)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-ARGININE, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N.
登録日2020-09-10
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.393 Å)
主引用文献Thrombin in complex with D-arginine (j77)
To be published
4GHR
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BU of 4ghr by Molmil
TGT D102N mutant in complex with lin-benzohypoxanthine inhibitor
分子名称: 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Immekus, F, Klebe, G.
登録日2012-08-08
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protonation state analysis of the TGT active site
To be Published
4GH1
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BU of 4gh1 by Molmil
tRNA Guanine Transglycosylase in complex with morpholine substituted lin-benzohypoxanthine inhibitor
分子名称: 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Immekus, F, Klebe, G.
登録日2012-08-07
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Two-armed benzopurine inhibitors of TGT
To be Published
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
7APM
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BU of 7apm by Molmil
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
7AYW
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BU of 7ayw by Molmil
Crystal structure of a shortened IpgC variant in complex with 2H-isoindol-1-amine
分子名称: 1H-isoindol-3-amine, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2020-11-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with 2H-isoindol-1-amine
To be published
7AXY
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BU of 7axy by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
分子名称: 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2020-11-10
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
To be published
7AZV
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BU of 7azv by Molmil
Crystal structure of a shortened IpgC variant in complex with 4-(trifluoromethyl)benzene-1-carboximidamide
分子名称: 4-(trifluoromethyl)benzenecarboximidamide, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2020-11-17
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with 4-(trifluoromethyl)benzene-1-carboximidamide
To be published
7B1U
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BU of 7b1u by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-(3,4-difluorophenyl)-1H,4H,6H,7H-imidazo[2,1-c][1,2,4]triazine
分子名称: 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2020-11-25
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with 3-(3,4-difluorophenyl)-1H,4H,6H,7H-imidazo[2,1-c][1,2,4]triazine
To be published
4FPS
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BU of 4fps by Molmil
tRNA-Guanine Transglycosylase in complex with adamantyl-substituted lin-benzoguanine ligand
分子名称: 6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Immekus, F, Klebe, G.
登録日2012-06-22
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Studies on TGT homodimer interface
To be Published

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件を2024-06-12に公開中

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