Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3SM0
DownloadVisualize
BU of 3sm0 by Molmil
tRNA-Guanine Transglycosylase in complex with lin-Benzohypoxanthine Inhibitor
Descriptor: 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Klebe, G, Immekus, F, Heine, A.
Deposit date:2011-06-27
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
3TLL
DownloadVisualize
BU of 3tll by Molmil
tRNA-Guanine Transglycosylase in complex with N-Ethyl-lin-benzoguanine Inhibitor
Descriptor: 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Klebe, G, Immekus, F, Heine, A.
Deposit date:2011-08-30
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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
2Q1B
DownloadVisualize
BU of 2q1b by Molmil
Carbonic Anhydrase II in Complex with Saccharin
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Klebe, G, Heine, A, Koehler, K.
Deposit date:2007-05-24
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
3RR4
DownloadVisualize
BU of 3rr4 by Molmil
tRNA-Guanine Transglycosylase in complex with N-Methyl-lin-Benzoguanine Inhibitor
Descriptor: 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Klebe, G, Immekus, F, Heine, A.
Deposit date:2011-04-29
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
3S1G
DownloadVisualize
BU of 3s1g by Molmil
tRNA-Guanine Transglycosylase in complex with lin-Benzohypoxanthine Inhibitor
Descriptor: 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Klebe, G, Immekus, F, Heine, A.
Deposit date:2011-05-15
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
8A4N
DownloadVisualize
BU of 8a4n by Molmil
Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
5UTJ
DownloadVisualize
BU of 5utj by Molmil
Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine
Descriptor: 8-AZAXANTHINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
5V3C
DownloadVisualize
BU of 5v3c by Molmil
Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-03-07
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
5UTI
DownloadVisualize
BU of 5uti by Molmil
Crystal Structure of TGT in complex with fragment in preQ1 pocket
Descriptor: DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
2BBF
DownloadVisualize
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
Descriptor: 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ZINC ION, tRNA guanine transglycosylase
Authors:Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G.
Deposit date:2005-10-17
Release date:2007-04-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
4RPQ
DownloadVisualize
BU of 4rpq by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1)
Descriptor: ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-10-31
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Aldose Reductase: IDD ligands under investigation
To be Published
4UD9
DownloadVisualize
BU of 4ud9 by Molmil
Thrombin in complex with 5-chlorothiophene-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-CHLORO-2-THIOPHENECARBOXAMIDE, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2014-12-09
Release date:2015-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.124 Å)
Cite:Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
4UE7
DownloadVisualize
BU of 4ue7 by Molmil
Thrombin in complex with 1-amidinopiperidine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2014-12-16
Release date:2015-08-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
4UFF
DownloadVisualize
BU of 4uff by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide
Descriptor: (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2015-03-16
Release date:2016-01-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
4UEH
DownloadVisualize
BU of 4ueh by Molmil
Thrombin in complex with benzamidine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, GLYCEROL, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2014-12-17
Release date:2015-08-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
4UFE
DownloadVisualize
BU of 4ufe by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide
Descriptor: (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2015-03-16
Release date:2016-01-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.593 Å)
Cite:Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
4UDW
DownloadVisualize
BU of 4udw by Molmil
Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide, GLYCEROL, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2014-12-12
Release date:2015-08-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
4UFD
DownloadVisualize
BU of 4ufd by Molmil
Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2015-03-16
Release date:2016-01-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.429 Å)
Cite:Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
4UFG
DownloadVisualize
BU of 4ufg by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane
Descriptor: (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2015-03-17
Release date:2016-01-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
7NHW
DownloadVisualize
BU of 7nhw by Molmil
Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
Descriptor: CHLORIDE ION, CHLORZOXAZONE, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-02-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
To be published
7NL8
DownloadVisualize
BU of 7nl8 by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
Descriptor: 3-methylbenzohydrazide, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
To be published
7NRG
DownloadVisualize
BU of 7nrg by Molmil
Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
Descriptor: (1R)-2-amino-1-(4-fluorophenyl)ethanol, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-03
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
To Be Published
7O04
DownloadVisualize
BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
Authors:Gardonyi, M, Heine, A, Klebe, G.
Deposit date:2021-03-25
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
1ENU
DownloadVisualize
BU of 1enu by Molmil
A new target for shigellosis: Rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase
Descriptor: 4-AMINOPHTHALHYDRAZIDE, TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
Authors:Gradler, U, Gerber, H.D, Goodenough-Lashua, D.M, Garcia, G.A, Ficner, R, Reuter, K, Stubbs, M.T, Klebe, G.
Deposit date:2000-03-21
Release date:2000-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase.
J.Mol.Biol., 306, 2001
1V2V
DownloadVisualize
BU of 1v2v by Molmil
Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon