1SNY
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![BU of 1sny by Molmil](/molmil-images/mine/1sny) | Carbonyl reductase Sniffer of D. melanogaster | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, sniffer CG10964-PA | Authors: | Sgraja, T, Ulschmid, J, Becker, K, Schneuwly, S, Klebe, G, Reuter, K, Heine, A. | Deposit date: | 2004-03-12 | Release date: | 2004-09-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into the Neuroprotective-acting Carbonyl Reductase Sniffer of Drosophila melanogaster. J.Mol.Biol., 342, 2004
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4PUL
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![BU of 4pul by Molmil](/molmil-images/mine/4pul) | 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
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4PUM
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![BU of 4pum by Molmil](/molmil-images/mine/4pum) | 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
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4Q8V
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![BU of 4q8v by Molmil](/molmil-images/mine/4q8v) | 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
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4GI4
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![BU of 4gi4 by Molmil](/molmil-images/mine/4gi4) | |
4GG9
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![BU of 4gg9 by Molmil](/molmil-images/mine/4gg9) | |
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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7ADN
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![BU of 7adn by Molmil](/molmil-images/mine/7adn) | apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant | Descriptor: | FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, D, You, S, Heine, A, Klebe, G. | Deposit date: | 2020-09-15 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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6EH0
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![BU of 6eh0 by Molmil](/molmil-images/mine/6eh0) | |
4GH3
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![BU of 4gh3 by Molmil](/molmil-images/mine/4gh3) | |
4GKT
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![BU of 4gkt by Molmil](/molmil-images/mine/4gkt) | |
6ZR6
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![BU of 6zr6 by Molmil](/molmil-images/mine/6zr6) | |
6ZRA
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![BU of 6zra by Molmil](/molmil-images/mine/6zra) | |
6ERW
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![BU of 6erw by Molmil](/molmil-images/mine/6erw) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-10-19 | Release date: | 2018-10-31 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6ZT2
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![BU of 6zt2 by Molmil](/molmil-images/mine/6zt2) | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 3-chloranyl-2,6-bis(fluoranyl)phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Badran, M.J, Heine, A, Klebe, G. | Deposit date: | 2020-07-17 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 17beta-hydroxysteroid dehydrogenase type 14 variant S205 in complex with 3-chloro-2,6-difluorophenol To Be Published
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6EH3
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![BU of 6eh3 by Molmil](/molmil-images/mine/6eh3) | |
4GHR
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![BU of 4ghr by Molmil](/molmil-images/mine/4ghr) | |
6EH2
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![BU of 6eh2 by Molmil](/molmil-images/mine/6eh2) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6EGW
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![BU of 6egw by Molmil](/molmil-images/mine/6egw) | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117 | Descriptor: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, alpha-D-ribofuranose, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6EM2
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![BU of 6em2 by Molmil](/molmil-images/mine/6em2) | Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-10-01 | Release date: | 2018-10-10 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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6EMA
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![BU of 6ema by Molmil](/molmil-images/mine/6ema) | |
6ERT
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![BU of 6ert by Molmil](/molmil-images/mine/6ert) | |
6ERV
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![BU of 6erv by Molmil](/molmil-images/mine/6erv) | |
7APL
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![BU of 7apl by Molmil](/molmil-images/mine/7apl) | |
5J9M
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![BU of 5j9m by Molmil](/molmil-images/mine/5j9m) | |