6CFU
 
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1U7O
 | | Magnesium Dependent Phosphatase 1 (MDP-1) | | Descriptor: | ACETATE ION, magnesium-dependent phosphatase-1 | | Authors: | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2004-08-04 | | Release date: | 2004-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
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1U7P
 | | X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily | | Descriptor: | MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1 | | Authors: | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2004-08-04 | | Release date: | 2004-10-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray Crystal Structure of the Hypothetical Phosphotyrosine
Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
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4G9B
 | | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid | | Descriptor: | Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, 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: | 2012-07-23 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
To be Published
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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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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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2IOH
 | | Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E. | | Deposit date: | 2006-10-10 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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2IOF
 | | Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D. | | Deposit date: | 2006-10-10 | | Release date: | 2007-07-17 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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4DWO
 | | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II | | Descriptor: | GLYCEROL, Haloacid dehalogenase-like hydrolase, MAGNESIUM ION | | Authors: | Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-26 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II
To be Published
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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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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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4DW8
 | | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I | | Descriptor: | Haloacid dehalogenase-like hydrolase, SODIUM ION, UNKNOWN LIGAND | | Authors: | Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
To be Published
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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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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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1M1B
 | | Crystal Structure of Phosphoenolpyruvate Mutase Complexed with Sulfopyruvate | | Descriptor: | MAGNESIUM ION, PHOSPHOENOLPYRUVATE PHOSPHOMUTASE, SULFOPYRUVATE | | Authors: | Liu, S, Lu, Z, Jia, Y, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2002-06-18 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Dissociative phosphoryl transfer in PEP mutase catalysis: structure of the enzyme/sulfopyruvate complex and kinetic properties of mutants.
Biochemistry, 41, 2002
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4K4A
 | | X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA | | Descriptor: | Esterase YdiI, phenacyl 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 (1.89 Å) | | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
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4K4C
 | | X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA | | Descriptor: | Proofreading thioesterase EntH, phenacyl 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 (1.85 Å) | | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
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4K49
 | | X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA | | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI | | 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 (1.89 Å) | | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
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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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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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1ZLP
 | | Petal death protein PSR132 with cysteine-linked glutaraldehyde forming a thiohemiacetal adduct | | Descriptor: | 5-HYDROXYPENTANAL, MAGNESIUM ION, petal death protein | | Authors: | Teplyakov, A, Liu, S, Lu, Z, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2005-05-08 | | Release date: | 2006-01-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the Petal Death Protein from Carnation Flower.
Biochemistry, 44, 2005
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1YMQ
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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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1XG4
 | | Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate | | Descriptor: | ISOCITRIC ACID, MAGNESIUM ION, 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: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 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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