6TUC
 
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3BAZ
 | | Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ | | 分子名称: | Hydroxyphenylpyruvate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Janiak, V, Klebe, G, Petersen, M, Heine, A. | | 登録日 | 2007-11-09 | | 公開日 | 2008-11-11 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth
Acta Crystallogr.,Sect.D, 66, 2010
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6TUF
 | | Human Aldose Reductase in complex with ALR43 | | 分子名称: | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G. | | 登録日 | 2020-01-07 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Human Aldose Reductase in complex with SAR25
To Be Published
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3BA1
 | | Structure of hydroxyphenylpyruvate reductase from coleus blumei | | 分子名称: | Hydroxyphenylpyruvate reductase | | 著者 | Janiak, V, Klebe, G, Petersen, M, Heine, A. | | 登録日 | 2007-11-07 | | 公開日 | 2008-11-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth.
Acta Crystallogr.,Sect.D, 66, 2010
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3U9A
 | | Human Thrombin In Complex With MI330 | | 分子名称: | (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-10-18 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Thrombin Inhibition
To be Published
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3SI4
 | | Human Thrombin In Complex With UBTHR104 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-17 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3T8H
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3T8F
 | | Thermolysin In Complex With UBTLN34 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-08-01 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
Chemmedchem, 7, 2012
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3T74
 | | Thermolysin In Complex With UBTLN27 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
Chemmedchem, 7, 2012
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3SHC
 | | Human Thrombin In Complex With UBTHR101 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-16 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3SI3
 | | Human Thrombin In Complex With UBTHR103 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-17 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3SHA
 | | Human Thrombin In Complex With UBTHR97 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-16 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3T73
 | | Thermolysin In Complex With UBTLN22 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
Chemmedchem, 7, 2012
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3T87
 | | Thermolysin In Complex With UBTLN28 | | 分子名称: | (2S)-2-({N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl}amino)butanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-08-01 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Thermolysin Inhibition
To be Published
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3SV2
 | | Human Thrombin In Complex With UBTHR105 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-07-12 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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3T8C
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1P0B
 | | Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0 | | 分子名称: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | | 登録日 | 2003-04-10 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase
and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
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3UWJ
 | | Human Thrombin In Complex With MI353 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-12-02 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
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1P0E
 | | CRYSTAL STRUCTURE OF ZYMOMONAS MOBILIS tRNA-GUANINE TRANSGLYCOSYLASE (TGT) COCRYSTALLISED WITH PREQ1 AT PH 5.5 | | 分子名称: | 7-DEAZA-7-AMINOMETHYL-GUANINE, Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | | 登録日 | 2003-04-10 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase
and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
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3U98
 | | Human Thrombin In Complex With MI001 | | 分子名称: | (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-10-18 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Thrombin Inhibition
To be Published
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1P0D
 | | CRYSTAL STRUCTURE OF ZYMOMONAS MOBILIS tRNA-GUANINE TRANSGLYCOSYLASE (TGT) CRYSTALLISED AT PH 5.5 | | 分子名称: | Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | | 登録日 | 2003-04-10 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Flexible adaptations in the structure of the tRNA-modifying enzyme
tRNA-guanine transglycosylase and their implications for substrate selectivity,
reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
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3T5F
 | | Human Thrombin In Complex With MI340 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-07-27 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
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3T8G
 | | Thermolysin In Complex With UBTLN26 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-08-01 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
Chemmedchem, 7, 2012
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1OZQ
 | | CRYSTAL STRUCTURE OF THE MUTATED TRNA-GUANINE TRANSGLYCOSYLASE (TGT)Y106F COMPLEXED WITH PREQ1 | | 分子名称: | 7-DEAZA-7-AMINOMETHYL-GUANINE, Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | | 登録日 | 2003-04-09 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase
and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
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1OZM
 | | Y106F mutant of Z. mobilis TGT | | 分子名称: | Queuine tRNA-ribosyltransferase, ZINC ION | | 著者 | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | | 登録日 | 2003-04-09 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Flexible adaptations in the structure of the tRNA-modifying enzyme
tRNA-guanine transglycosylase and their implications for substrate selectivity,
reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
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