1NSS
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5TIF
| x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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5TIE
| x-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 7.5 in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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5TID
| X-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 5 in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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5TIC
| X-ray structure of wild-type E. coli Acyl-CoA thioesterase I at pH 5 | Descriptor: | Acyl-CoA thioesterase I, CHLORIDE ION | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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5U21
| X-ray structure of the WlaRF aminotransferase from Campylobacter jejuni, K184A mutant in complex with TDP-Qui3N | Descriptor: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M. | Deposit date: | 2016-11-29 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase. Protein Sci., 26, 2017
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5U20
| X-ray structure of the WlaRG aminotransferase from Campylobacter jejuni, internal PLP-aldimine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative aminotransferase, ... | Authors: | Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M. | Deposit date: | 2016-11-29 | Release date: | 2017-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase. Protein Sci., 26, 2017
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5UIJ
| X-ray structure of The FdtF N-formyltransferase from Salmonella enteric O60 in complex with TDP | Descriptor: | 1,2-ETHANEDIOL, Formyltransferase, SODIUM ION, ... | Authors: | Thoden, J.B, Woodford, C.R, Holden, H.M. | Deposit date: | 2017-01-14 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular architecture of an N-formyltransferase from Salmonella enterica O60. J. Struct. Biol., 200, 2017
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1KVU
| UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | Deposit date: | 1997-03-07 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic roles of tyrosine 149 and serine 124 in UDP-galactose 4-epimerase from Escherichia coli. Biochemistry, 36, 1997
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1L7J
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1L7K
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6Q0Y
| Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine | Descriptor: | 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2019-08-02 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine To Be Published
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2GMU
| Crystal structure of E coli GDP-4-keto-6-deoxy-D-mannose-3-dehydratase complexed with PLP-glutamate ketimine intermediate | Descriptor: | MAGNESIUM ION, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID, Putative pyridoxamine 5-phosphate-dependent dehydrase, ... | Authors: | Cook, P.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2006-04-07 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of GDP-4-keto-6-deoxy-D-mannose-3-dehydratase: a unique coenzyme B6-dependent enzyme. Protein Sci., 15, 2006
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2GMS
| E coli GDP-4-keto-6-deoxy-D-mannose-3-dehydratase with bound hydrated PLP | Descriptor: | MAGNESIUM ION, Putative pyridoxamine 5-phosphate-dependent dehydrase, Wbdk, ... | Authors: | Cook, P.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2006-04-07 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of GDP-4-keto-6-deoxy-D-mannose-3-dehydratase: a unique coenzyme B6-dependent enzyme. Protein Sci., 15, 2006
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3R37
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3R3D
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3R36
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxybenzoic acid | Descriptor: | 4-hydroxybenzoyl-CoA thioesterase, P-HYDROXYBENZOIC ACID | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3R3B
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3R34
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with CoA | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxybenzoyl-CoA thioesterase, COENZYME A | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3R3F
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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3TEA
| Crystal structure of Arthrobacter sp. strain su 4-hydroxybenzoyl CoA thioesterase double mutant Q58E/E73A complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-08-12 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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1BXG
| PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE | Descriptor: | HYDROCINNAMIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHENYLALANINE DEHYDROGENASE, ... | Authors: | Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M. | Deposit date: | 1998-10-02 | Release date: | 1999-05-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism. Biochemistry, 38, 1999
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1C1X
| L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE | Descriptor: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, ISOPROPYL ALCOHOL, L-PHENYLALANINE DEHYDROGENASE, ... | Authors: | Vanhooke, J.L, Thoden, J.B. | Deposit date: | 1999-07-22 | Release date: | 2000-08-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rhodococcus L-phenylalanine dehydrogenase: kinetics, mechanism, and structural basis for catalytic specificity. Biochemistry, 39, 2000
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1BW9
| PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M. | Deposit date: | 1998-10-01 | Release date: | 1999-05-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism. Biochemistry, 38, 1999
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1C1D
| L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NADH AND L-PHENYLALANINE | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, L-PHENYLALANINE DEHYDROGENASE, ... | Authors: | Vanhooke, J.L, Thoden, J.B. | Deposit date: | 1999-07-21 | Release date: | 2000-08-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Rhodococcus L-phenylalanine dehydrogenase: kinetics, mechanism, and structural basis for catalytic specificity. Biochemistry, 39, 2000
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