1O08
| Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 1-phosphate | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase | Authors: | Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-02-20 | Release date: | 2003-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction. Science, 299, 2003
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4K4B
| X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA | Descriptor: | CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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3E81
| Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily | Descriptor: | 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2008-08-19 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members. J.Biol.Chem., 284, 2009
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3CW9
| 4-Chlorobenzoyl-CoA Ligase/Synthetase in the Thioester-forming Conformation, bound to 4-chlorophenacyl-CoA | Descriptor: | 1,2-ETHANEDIOL, 4-Chlorophenacyl-coenzyme A, 4-chlorobenzoyl CoA ligase, ... | Authors: | Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M. | Deposit date: | 2008-04-21 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. Biochemistry, 47, 2008
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4JB3
| Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, SODIUM ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Kumar, P.R, Ghosh, A, Al Obaidi, N.F, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of bt_0970, a had family phosphatase from bacteroides thetaiotaomicron VPI-5482, TARGET EFI-501083, with bound sodium and glycerol, closed lid, ordered loop To be Published
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3CW8
| 4-Chlorobenzoyl-CoA Ligase/Synthetase, bound to 4CBA-Adenylate | Descriptor: | 1,2-ETHANEDIOL, 4-chlorobenzoyl CoA ligase, 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine | Authors: | Reger, A.S, Cao, J, Wu, R, Dunaway-Mariano, D, Gulick, A.M. | Deposit date: | 2008-04-21 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. Biochemistry, 47, 2008
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4K4D
| X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ... | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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3E84
| Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily | Descriptor: | 1,2-ETHANEDIOL, Acylneuraminate cytidylyltransferase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2008-08-19 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members. J.Biol.Chem., 284, 2009
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1RQL
| Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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1Z4O
| Structure of beta-phosphoglucomutase with inhibitor bound alpha-galactose 1-phosphate | Descriptor: | 1-O-phosphono-alpha-D-galactopyranose, Beta-phosphoglucomutase, MAGNESIUM ION | Authors: | Tremblay, L.W, Zhang, G, Dai, J, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2005-03-16 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chemical Confirmation of a Pentavalent Phosphorane in Complex with beta-Phosphoglucomutase J.Am.Chem.Soc., 127, 2005
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1Z4N
| Structure of beta-phosphoglucomutase with inhibitor bound alpha-galactose 1-phosphate cocrystallized with Fluoride | Descriptor: | 1-O-phosphono-alpha-D-galactopyranose, Beta-phosphoglucomutase, MAGNESIUM ION | Authors: | Tremblay, L.W, Zhang, G, Dai, J, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2005-03-16 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Chemical Confirmation of a Pentavalent Phosphorane in Complex with beta-Phosphoglucomutase J.Am.Chem.Soc., 127, 2005
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3E8M
| Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acylneuraminate cytidylyltransferase, ... | Authors: | Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2008-08-20 | Release date: | 2008-11-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members. J.Biol.Chem., 284, 2009
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1YMQ
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1LO7
| X-ray structure of 4-Hydroxybenzoyl CoA Thioesterase complexed with 4-hydroxyphenacyl CoA | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA Thioesterase | Authors: | Thoden, J.B, Holden, H.M, Zhuang, Z, Dunaway-Mariano, D. | Deposit date: | 2002-05-06 | Release date: | 2002-05-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase. J.Biol.Chem., 277, 2002
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1RQN
| Phosphonoacetaldehyde hydrolase complexed with magnesium | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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1SWV
| Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium | Descriptor: | MAGNESIUM ION, phosphonoacetaldehyde hydrolase | Authors: | Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2004-03-30 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily Biochemistry, 43, 2004
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1S2V
| Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II) | Descriptor: | MAGNESIUM ION, Phosphoenolpyruvate phosphomutase | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2004-01-11 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
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1JXZ
| Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product) | Descriptor: | 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ... | Authors: | Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M. | Deposit date: | 2001-09-10 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis Biochemistry, 40, 2001
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1SWW
| Crystal structure of the phosphonoacetaldehyde hydrolase D12A mutant complexed with magnesium and substrate phosphonoacetaldehyde | Descriptor: | MAGNESIUM ION, PHOSPHONOACETALDEHYDE, phosphonoacetaldehyde hydrolase | Authors: | Zhang, G, Morais, M.C, Dai, J, Zhang, W, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2004-03-30 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Investigation of metal ion binding in phosphonoacetaldehyde hydrolase identifies sequence markers for metal-activated enzymes of the HAD enzyme superfamily Biochemistry, 43, 2004
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1Q4S
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase complexed with CoA and 4-hydroxybenzoic acid | Descriptor: | COENZYME A, P-HYDROXYBENZOIC ACID, Thioesterase | Authors: | Thoden, J.B, Zhuang, Z, Dunaway-Mariano, D, Holden, H.M. | Deposit date: | 2003-08-04 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU J.Biol.Chem., 278, 2003
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1RDF
| G50P mutant of phosphonoacetaldehyde hydrolase in complex with substrate analogue vinyl sulfonate | Descriptor: | ETHANESULFONIC ACID, MAGNESIUM ION, phosphonoacetaldehyde hydrolase | Authors: | Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-11-05 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Analysis of the substrate specificity loop of the HAD superfamily cap domain Biochemistry, 43, 2004
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1ZOL
| native beta-PGM | Descriptor: | MAGNESIUM ION, beta-phosphoglucomutase | Authors: | Zhang, G, Tremblay, L.W, Dai, J, Wang, L, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2005-05-13 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytic cycling in beta-phosphoglucomutase: a kinetic and structural analysis Biochemistry, 44, 2005
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1LO8
| X-ray crystal structure of 4-hydroxybenzoyl CoA thioesterase complexed with 4-hydroxybenzyl CoA | Descriptor: | 4-HYDROXYBENZYL COENZYME A, 4-hydroxybenzoyl-CoA Thioesterase | Authors: | Thoden, J.B, Holden, H.M, Zhuang, Z, Dunaway-Mariano, D. | Deposit date: | 2002-05-06 | Release date: | 2002-05-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase. J.Biol.Chem., 277, 2002
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1XG3
| Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate | Descriptor: | MAGNESIUM ION, PYRUVIC ACID, Probable methylisocitrate lyase, ... | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2004-09-16 | Release date: | 2005-03-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution Biochemistry, 44, 2005
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1LO9
| X-ray crystal structure of 4-hydroxybenzoyl CoA thioesterase mutant D17N complexed with 4-hydroxybenzoyl CoA | Descriptor: | 4-HYDROXYBENZOYL COENZYME A, 4-hydroxybenzoyl-CoA Thioesterase | Authors: | Thoden, J.B, Holden, H.M, Zhuang, Z, Dunaway-Mariano, D. | Deposit date: | 2002-05-06 | Release date: | 2002-05-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase. J.Biol.Chem., 277, 2002
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