5I03
 
 | | tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 分子名称: | 1,2-ETHANEDIOL, 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... | | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
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5I02
 | | tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 分子名称: | 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ... | | 著者 | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
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4KWO
 | | tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 3 | | 分子名称: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | | 登録日 | 2013-05-24 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT).
Chemistry, 21, 2015
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5I07
 | | 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 | | 分子名称: | 1,2-ETHANEDIOL, 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ... | | 著者 | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
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4L56
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4KUP
 | | Endothiapepsin in complex with 20mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2013-05-22 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.311 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5I00
 | | tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | 分子名称: | 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ... | | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
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4KTY
 | | Fibrin-stabilizing factor with a bound ligand | | 分子名称: | CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ... | | 著者 | Stieler, M, Heine, A, Klebe, G. | | 登録日 | 2013-05-21 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4LBT
 | | Endothiapepsin in complex with 100mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Radeva, N, Heine, A, Winquist, J, Klebe, G. | | 登録日 | 2013-06-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4LHH
 | | Endothiapepsin in complex with 2mM acylhydrazone inhibitor | | 分子名称: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Radeva, N, Heine, A, Klebe, G. | | 登録日 | 2013-07-01 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4L6B
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4LBU
 | | tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 2 | | 分子名称: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | | 登録日 | 2013-06-21 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT).
Chemistry, 21, 2015
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4LAP
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4LEQ
 | | tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 1 | | 分子名称: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | 著者 | Ehrmann, F.R, Heine, A, Klebe, G. | | 登録日 | 2013-06-26 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.405 Å) | | 主引用文献 | Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT).
Chemistry, 21, 2015
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3HFY
 | | Mutant of tRNA-guanine transglycosylase (K52M) | | 分子名称: | Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Ritschel, T, Klebe, G. | | 登録日 | 2009-05-13 | | 公開日 | 2009-08-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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3KIG
 | | Mutant carbonic anhydrase II in complex with an azide and an alkyne | | 分子名称: | 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G. | | 登録日 | 2009-11-02 | | 公開日 | 2010-11-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
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3KNE
 | | Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ... | | 著者 | Schulze-Wischeler, J, Heine, A, Klebe, G. | | 登録日 | 2009-11-12 | | 公開日 | 2011-05-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
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3LJO
 | | Bovine trypsin in complex with UB-THR 11 | | 分子名称: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Wegscheid-Gerlach, C, Heine, A, Klebe, G. | | 登録日 | 2010-01-26 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
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3LQG
 | | Human aldose reductase mutant T113A complexed with IDD388 | | 分子名称: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-02-09 | | 公開日 | 2010-12-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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3LBO
 | | Human aldose reductase mutant T113C complexed with IDD594 | | 分子名称: | Aldose reductase, BROMIDE ION, CITRIC ACID, ... | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-01-08 | | 公開日 | 2010-12-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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3LEP
 | | Human Aldose Reductase mutant T113C in complex with IDD388 | | 分子名称: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-01-15 | | 公開日 | 2010-12-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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3LJJ
 | | Bovine trypsin in complex with UB-THR 10 | | 分子名称: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Wegscheid-Gerlach, C, Heine, A, Klebe, G. | | 登録日 | 2010-01-26 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
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3LS7
 | | Crystal structure of Thermolysin in complex with Xenon | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Behnen, J, Klebe, G, Heine, A, Brumshtein, B. | | 登録日 | 2010-02-12 | | 公開日 | 2011-02-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Old acquantance rediscovered, use of xenon/protein complexes as a generic tool for SAD phasing of in house data
To be Published
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3LEN
 | | Human Aldose Reductase mutant T113S complexed with Zopolrestat | | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-01-15 | | 公開日 | 2011-01-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
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3LQL
 | | Human Aldose Reductase mutant T113A complexed with IDD 594 | | 分子名称: | Aldose reductase, BROMIDE ION, CITRIC ACID, ... | | 著者 | Koch, C, Heine, A, Klebe, G. | | 登録日 | 2010-02-09 | | 公開日 | 2010-12-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors
J.Mol.Biol., 406, 2011
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