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5JXQ
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BU of 5jxq by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO-2-{[4-(2-HYDROXYETHYL)PHENETHYL]AMINO}-1,7-DIHYDRO-8H-IMIDAZO[4,5-g]QUINAZOLIN-8-ONE
Descriptor: 6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2016-05-13
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Occupying a flat subpocket in a tRNA-modifying enzyme with ordered or disordered side chains: Favorable or unfavorable for binding?
Bioorg.Med.Chem., 24, 2016
4IPP
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BU of 4ipp by Molmil
tRNA-guanine-transglycosylase (TGT) mutant V262D APO-Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2013-01-10
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Investigating the advantage of ligands with residual mobility in binding mutated TGT
To be Published
4Q4Q
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BU of 4q4q by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-[(Thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
4Q4O
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BU of 4q4o by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(piperidin-1-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
4Q4P
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BU of 4q4p by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Descriptor: 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
4Q8U
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BU of 4q8u by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with Methyl 4-[2-({6-amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzoate
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines
To be Published
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
Descriptor: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.721 Å)
Cite:Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
4Q8O
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BU of 4q8o by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant V262T in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
4Q8V
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BU of 4q8v by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 4-[2-({6-Amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzonitrile
Descriptor: 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines
To be Published
4Q8P
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BU of 4q8p by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant V262D in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
4Q4M
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BU of 4q4m by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-4-phenyl-1,2-dihydro-1,3,5-triazin-2-one
Descriptor: 6-amino-4-phenyl-1,3,5-triazin-2(1H)-one, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:5-Azacytosines as a Novel Scaffold to Inhibit Z. mobilis TGT with Expected Improved Bioavailability and Synthetic Accessibility
To be Published
4Q8M
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BU of 4q8m by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant V262T Apo Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
4Q4S
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BU of 4q4s by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
4Q4R
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BU of 4q4r by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(Morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
4PUK
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BU of 4puk by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
4PUN
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BU of 4pun by Molmil
tRNA-Guanine Transglycosylase (TGT) Apo-Structure pH 7.8
Descriptor: DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
4PUJ
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BU of 4puj by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
4PUL
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BU of 4pul by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant D102N in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.654 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
4PUM
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BU of 4pum by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant D156N in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
4Q8T
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BU of 4q8t by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(2-phenylethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines
To be Published
4Q8N
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BU of 4q8n by Molmil
tRNA-Guanine Transglycosylase (TGT) Mutant V262C Apo Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents
To be Published
4Q8W
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BU of 4q8w by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 4-[2-({6-Amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzoic acid
Descriptor: 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines
To be Published
4EVI
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BU of 4evi by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine
Descriptor: 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ...
Authors:Wolters, S, Heine, A, Petersen, M.
Deposit date:2012-04-26
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4EMS
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BU of 4ems by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum
Descriptor: Coniferyl alcohol 9-O-methyltransferase, GLYCEROL
Authors:Wolters, S, Heine, A, Petersen, M.
Deposit date:2012-04-12
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7534 Å)
Cite:Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4E70
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BU of 4e70 by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol
Descriptor: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, GLYCEROL
Authors:Wolters, S, Heine, A, Petersen, M.
Deposit date:2012-03-16
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6093 Å)
Cite:Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013

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