2Z7K
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![BU of 2z7k by Molmil](/molmil-images/mine/2z7k) | tRNA-Guanine transglycosylase (TGT) in complex with 2-Amino-lin-Benzoguanine | Descriptor: | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2007-08-24 | Release date: | 2008-08-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | 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
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3C2Y
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![BU of 3c2y by Molmil](/molmil-images/mine/3c2y) | tRNA-Guanine Transglycosylase (TGT) in complex with 6-Amino-2-methyl-1,7-dihydro-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2008-01-26 | Release date: | 2009-02-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
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3EOU
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![BU of 3eou by Molmil](/molmil-images/mine/3eou) | tRNA-guanine transglycosylase in complex with 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2008-09-29 | Release date: | 2009-09-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 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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3EOS
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![BU of 3eos by Molmil](/molmil-images/mine/3eos) | 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 | Descriptor: | 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2008-09-29 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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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3GC4
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![BU of 3gc4 by Molmil](/molmil-images/mine/3gc4) | tRNA-guanine transglycosylase in complex with inhibitor | Descriptor: | 6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2009-02-21 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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3GC5
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![BU of 3gc5 by Molmil](/molmil-images/mine/3gc5) | tRNA-guanine transglycosylase in complex with 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2009-02-21 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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3GE7
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![BU of 3ge7 by Molmil](/molmil-images/mine/3ge7) | tRNA-guanine transglycosylase in complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2009-02-25 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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3HFY
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![BU of 3hfy by Molmil](/molmil-images/mine/3hfy) | Mutant of tRNA-guanine transglycosylase (K52M) | Descriptor: | Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Ritschel, T, Klebe, G. | Deposit date: | 2009-05-13 | Release date: | 2009-08-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction J.Mol.Biol., 393, 2009
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2QZR
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![BU of 2qzr by Molmil](/molmil-images/mine/2qzr) | tRNA-Guanine Transglycosylase(TGT) in Complex with 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Hoertner, S.R, Ritschel, T, Stengl, B, Kramer, C, Schweizer, W.B, Wagner, B, Kansy, M, Klebe, G, Diederich, F. | Deposit date: | 2007-08-17 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent Inhibitors of tRNA-Guanine Transglycosylase, an Enzyme Linked to the Pathogenicity of the Shigella Bacterium: Charge-Assisted Hydrogen Bonding. Angew.Chem.Int.Ed.Engl., 46, 2007
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7QA4
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![BU of 7qa4 by Molmil](/molmil-images/mine/7qa4) | |
7A4N
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![BU of 7a4n by Molmil](/molmil-images/mine/7a4n) | Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(S-closed trimer) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M. | Deposit date: | 2020-08-20 | Release date: | 2020-11-04 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Stabilizing the closed SARS-CoV-2 spike trimer. Nat Commun, 12, 2021
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7AD1
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![BU of 7ad1 by Molmil](/molmil-images/mine/7ad1) | Cryo-EM structure of a prefusion stabilized SARS-CoV-2 Spike (D614N, R682S, R685G, A892P, A942P and V987P)(One up trimer) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein | Authors: | Rutten, L, Renault, L.L.R, Juraszek, J, Langedijk, J.P.M. | Deposit date: | 2020-09-14 | Release date: | 2020-11-04 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Stabilizing the closed SARS-CoV-2 spike trimer. Nat Commun, 12, 2021
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6BLI
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![BU of 6bli by Molmil](/molmil-images/mine/6bli) | RSV G peptide bound to Fab CB002.5 | Descriptor: | CB002.5 Fab Heavy Chain, CB002.5 Fab Light Chain, Major surface glycoprotein G | Authors: | Jones, H.G, McLellan, J.S, Langedijk, J.P. | Deposit date: | 2017-11-10 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for recognition of the central conserved region of RSV G by neutralizing human antibodies. PLoS Pathog., 14, 2018
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6BLH
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![BU of 6blh by Molmil](/molmil-images/mine/6blh) | RSV G central conserved region bound to Fab CB017.5 | Descriptor: | 1,2-ETHANEDIOL, Fab CB017.5 heavy chain, Fab CB017.5 light chain, ... | Authors: | Jones, H.G, McLellan, J.S, Langedijk, J.P. | Deposit date: | 2017-11-10 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for recognition of the central conserved region of RSV G by neutralizing human antibodies. PLoS Pathog., 14, 2018
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3RR4
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![BU of 3rr4 by Molmil](/molmil-images/mine/3rr4) | 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
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3SM0
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![BU of 3sm0 by Molmil](/molmil-images/mine/3sm0) | 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
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3S1G
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![BU of 3s1g by Molmil](/molmil-images/mine/3s1g) | 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
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3TLL
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![BU of 3tll by Molmil](/molmil-images/mine/3tll) | 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
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4DXX
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![BU of 4dxx by Molmil](/molmil-images/mine/4dxx) | TGT K52M mutant crystallized at pH 8.5 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Jakobi, S, Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2012-02-28 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Hot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzyme. Proteins, 82, 2014
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3FGD
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![BU of 3fgd by Molmil](/molmil-images/mine/3fgd) | Drugscore FP: Thermoylsin in complex with fragment. | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Englert, L, Heine, A, Klebe, G. | Deposit date: | 2008-12-05 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Drugscore FP: Profiling Protein-Ligand Interactions using Fingerprint Simplicity paired with Knowledge-Based Potential Fields To be Published
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