4A7I
| Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | 分子名称: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | 著者 | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | 登録日 | 2011-11-14 | 公開日 | 2012-02-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes. Angew.Chem.Int.Ed.Engl., 51, 2012
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2BQW
| CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 | 分子名称: | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-28 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BOH
| Crystal structure of factor Xa in complex with compound "1" | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-11 | 公開日 | 2006-04-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ7
| Crystal structure of factor Xa in complex with 43 | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-27 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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2BQ6
| Crystal structure of factor Xa in complex with 21 | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | 登録日 | 2005-04-27 | 公開日 | 2006-04-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography. J.Med.Chem., 48, 2005
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4CE5
| First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus | 分子名称: | AT-OMEGATA, CALCIUM ION, CHLORIDE ION, ... | 著者 | Lyskowski, A, Gruber, C, Steinkellner, G, Schurmann, M, Schwab, H, Gruber, K, Steiner, K. | 登録日 | 2013-11-08 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus Plos One, 9, 2014
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5AHS
| 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA | 分子名称: | ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | 登録日 | 2015-02-06 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Acta Crystallogr.,Sect.D, 71, 2015
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5AF7
| 3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase from Advenella mimigardefordensis DPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold. Native crystal structure | 分子名称: | ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | 登録日 | 2015-01-20 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Acta Crystallogr.,Sect.D, 71, 2015
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2XYJ
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2XYW
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2XYX
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5K3W
| Structural characterisation of fold IV-transaminase, CpuTA1, from Curtobacterium pusillum | 分子名称: | 3-AMINOBENZOIC ACID, CpuTA1, PYRIDOXAL-5'-PHOSPHATE | 著者 | Pavkov-Keller, T, Diepold, M, Steiner, K, Gruber, K. | 登録日 | 2016-05-20 | 公開日 | 2016-12-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Discovery and structural characterisation of new fold type IV-transaminases exemplify the diversity of this enzyme fold. Sci Rep, 6, 2016
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4V15
| Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans | 分子名称: | D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K. | 登録日 | 2014-09-24 | 公開日 | 2015-03-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism. Plos One, 10, 2015
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4UIR
| Structure of oleate hydratase from Elizabethkingia meningoseptica | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | 著者 | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | 登録日 | 2015-04-02 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
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6SNL
| (R)-selective amine transaminase from Exophiala sideris | 分子名称: | CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | 著者 | Telzerow, A, Hakansson, M, Steiner, K. | 登録日 | 2019-08-26 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.129 Å) | 主引用文献 | Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members. Chembiochem, 22, 2021
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6XU3
| (R)-selective amine transaminase from Shinella sp. | 分子名称: | 3-AMINOBENZOIC ACID, CHLORIDE ION, Class IV aminotransferase, ... | 著者 | Telzerow, A, Hakansson, M, Steiner, K. | 登録日 | 2020-01-17 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members. Chembiochem, 22, 2021
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4WSJ
| Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one | 分子名称: | Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION | 著者 | Davies, G.J, Wright, D.W. | 登録日 | 2014-10-28 | 公開日 | 2014-11-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases. Chem Sci, 6, 2015
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4WSK
| Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone | 分子名称: | Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ... | 著者 | Davies, G.J. | 登録日 | 2014-10-28 | 公開日 | 2014-11-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases. Chem Sci, 6, 2015
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5ML3
| The crystal structure of PDE6D in complex to Deltasonamide1 | 分子名称: | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide | 著者 | Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A. | 登録日 | 2016-12-06 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
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5ML8
| The crystal structure of PDE6D in complex to inhibitor-4 | 分子名称: | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide | 著者 | Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A. | 登録日 | 2016-12-06 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
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5ML2
| The crystal structure of PDE6D in complex with inhibitor-3 | 分子名称: | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide | 著者 | Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A. | 登録日 | 2016-12-06 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
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5ML4
| The crystal structure of PDE6D in complex to inhibitor-7 | 分子名称: | 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 著者 | Fansa, E.K, Martin-Gago, P, waldmann, H, Wittinghofer, A. | 登録日 | 2016-12-06 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
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5ML6
| The crystal structure of PDE6D in complex to inhibitor-8 | 分子名称: | 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | 著者 | Fansa, E.K, Martin-gago, P, Waldmann, H, Wittinghofer, A. | 登録日 | 2016-12-06 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2. Angew. Chem. Int. Ed. Engl., 56, 2017
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1L6W
| Fructose-6-phosphate aldolase | 分子名称: | Fructose-6-phosphate aldolase 1, GLYCEROL | 著者 | Thorell, S, Schuermann, M, Sprenger, G.A, Schneider, G. | 登録日 | 2002-03-14 | 公開日 | 2002-06-12 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal structure of decameric fructose-6-phosphate aldolase from Escherichia coli reveals inter-subunit helix swapping as a structural basis for assembly differences in the transaldolase family. J.Mol.Biol., 319, 2002
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3R8R
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