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4Y57
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BU of 4y57 by Molmil
Endothiapepsin in complex with fragment 63
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5G
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BU of 4y5g by Molmil
Endothiapepsin in complex with fragment 272
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
4YCK
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BU of 4yck by Molmil
Endothiapepsin in complex with fragment 211
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-20
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD4
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BU of 4yd4 by Molmil
Endothiapepsin in complex with fragment 227
Descriptor: 1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-20
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
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
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
6YH2
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BU of 6yh2 by Molmil
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
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BU of 6ygm by Molmil
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
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BU of 6ygy by Molmil
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
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BU of 6yiq by Molmil
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
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BU of 6ygv by Molmil
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
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BU of 6ygw by Molmil
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
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BU of 6yfw by Molmil
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
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BU of 6yfx by Molmil
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
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BU of 6ygp by Molmil
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
6YHE
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BU of 6yhe by Molmil
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
6YGO
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BU of 6ygo by Molmil
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
6YH1
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BU of 6yh1 by Molmil
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
6YRY
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BU of 6yry by Molmil
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
6YGK
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BU of 6ygk by Molmil
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
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BU of 6ygz by Molmil
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
6YGL
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BU of 6ygl by Molmil
TGT W326F mutant 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 (1.48 Å)
Cite:Mutation study on tRNA-guanine transglycosylase within 19F NMR experiments for conformational change analysis
To Be Published
6YGX
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BU of 6ygx by Molmil
tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex 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: 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, 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 (1.35 Å)
Cite:Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
6YH3
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BU of 6yh3 by Molmil
tRNA-Guanine Transglycosylase (TGT) in co-crystallized complex 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, 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 (1.49 Å)
Cite:Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
6YGS
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BU of 6ygs by Molmil
tRNA-guanine Transglycosylase (TGT) 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, 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 (1.4 Å)
Cite:Co-crystallization and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
6YHD
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BU of 6yhd by Molmil
tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)ethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
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 (1.25 Å)
Cite:Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published

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