3PM3
 
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-16 | | 公開日 | 2011-12-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3Q00
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-12-15 | | 公開日 | 2011-12-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLB
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLP
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3SI1
 | | Structure of glycosylated murine glutaminyl cyclase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutaminyl-peptide cyclotransferase, ZINC ION | | 著者 | Dambe, T, Carrillo, D, Parthier, C, Stubbs, M.T. | | 登録日 | 2011-06-17 | | 公開日 | 2011-06-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
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3SI0
 | | Structure of glycosylated human glutaminyl cyclase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutaminyl-peptide cyclotransferase, ... | | 著者 | Parthier, C, Carrillo, D, Stubbs, M.T. | | 登録日 | 2011-06-17 | | 公開日 | 2011-06-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
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3SI2
 | | Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150) | | 分子名称: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Parthier, C, Carrillo, D, Stubbs, M.T. | | 登録日 | 2011-06-17 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
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4B2B
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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4B2C
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TPA) in complex with eglin C | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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4B2A
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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4BPG
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4BPF
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4BPH
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4B1T
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | | 登録日 | 2012-07-12 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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1JMK
 | | Structural Basis for the Cyclization of the Lipopeptide Antibiotic Surfactin by the Thioesterase Domain SrfTE | | 分子名称: | SULFATE ION, Surfactin Synthetase | | 著者 | Bruner, S.D, Weber, T, Kohli, R.M, Schwarzer, D, Marahiel, M.A, Walsh, C.T, Stubbs, M.T. | | 登録日 | 2001-07-18 | | 公開日 | 2002-03-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structural basis for the cyclization of the lipopeptide antibiotic surfactin by the thioesterase domain SrfTE.
Structure, 10, 2002
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1K5H
 | | 1-deoxy-D-xylulose-5-phosphate reductoisomerase | | 分子名称: | 1-deoxy-D-xylulose-5-phosphate reductoisomerase | | 著者 | Reuter, K, Sanderbrand, S, Jomaa, H, Wiesner, J, Steinbrecher, I, Beck, E, Hintz, M, Klebe, G, Stubbs, M.T. | | 登録日 | 2001-10-10 | | 公開日 | 2002-02-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase, a crucial enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.
J.Biol.Chem., 277, 2002
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1KWQ
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1KWR
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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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4FWU
 | | Crystal structure of glutaminyl cyclase from drosophila melanogaster in space group I4 | | 分子名称: | 1,2-ETHANEDIOL, CG32412, SULFATE ION, ... | | 著者 | Kolenko, P, Koch, B, Stubbs, M.T. | | 登録日 | 2012-07-02 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of glutaminyl cyclase from Drosophila melanogaster in space group I4.
Acta Crystallogr.,Sect.F, 69, 2013
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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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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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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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4E1B
 | | Re-refinement of PDB entry 2EQA - SUA5 protein from Sulfolobus tokodaii with bound threonylcarbamoyladenylate | | 分子名称: | MAGNESIUM ION, YrdC/Sua5 family protein, threonylcarbamoyladenylate | | 著者 | Parthier, C, Goerlich, S, Jaenecke, F, Breithaupt, C, Braeuer, U, Fandrich, U, Clausnitzer, D, Wehmeier, U.F, Boettcher, C, Scheel, D, Stubbs, M.T. | | 登録日 | 2012-03-06 | | 公開日 | 2012-03-14 | | 最終更新日 | 2012-05-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4F9U
 | | Structure of glycosylated glutaminyl cyclase from Drosophila melanogaster | | 分子名称: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CG32412, ... | | 著者 | Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T. | | 登録日 | 2012-05-21 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012
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