2QW0
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![BU of 2qw0 by Molmil](/molmil-images/mine/2qw0) | 4-Chlorobenzoyl-CoA Ligase/Synthetase, I303A mutation, bound to 3,4 Dichlorobenzoate | Descriptor: | 3,4-dichlorobenzoate, 4-Chlorobenzoate CoA Ligase | Authors: | Wu, R, Reger, A.S, Cao, J, Gulick, A.M, Dunaway-Mariano, D. | Deposit date: | 2007-08-09 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. Biochemistry, 46, 2007
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2QVY
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![BU of 2qvy by Molmil](/molmil-images/mine/2qvy) | 4-Chlorobenzoyl-CoA Ligase/Synthetase, I303G mutation, bound to 3,4-Dichlorobenzoate | Descriptor: | 3,4-dichlorobenzoate, 4-Chlorobenzoate CoA Ligase | Authors: | Wu, R, Reger, A.S, Cao, J, Gulick, A.M, Dunaway-Mariano, D. | Deposit date: | 2007-08-09 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. Biochemistry, 46, 2007
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2QVX
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![BU of 2qvx by Molmil](/molmil-images/mine/2qvx) | 4-Chlorobenzoyl-CoA Ligase/Synthetase, I303G mutation, bound to 3-Chlorobenzoate | Descriptor: | 3-chlorobenzoate, 4-Chlorobenzoate CoA Ligase | Authors: | Wu, R, Reger, A.S, Cao, J, Gulick, A.M, Dunaway-Mariano, D. | Deposit date: | 2007-08-09 | Release date: | 2007-12-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. Biochemistry, 46, 2007
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3QU9
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![BU of 3qu9 by Molmil](/molmil-images/mine/3qu9) | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, asp13asn mutant complexed with magnesium and tartrate | Descriptor: | CHLORIDE ION, GLYCEROL, INORGANIC PYROPHOSPHATASE, ... | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | Deposit date: | 2011-02-23 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase. Biochemistry, 50, 2011
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4QD9
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![BU of 4qd9 by Molmil](/molmil-images/mine/4qd9) | |
4QDA
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![BU of 4qda by Molmil](/molmil-images/mine/4qda) | |
4QD7
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![BU of 4qd7 by Molmil](/molmil-images/mine/4qd7) | |
4QDB
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![BU of 4qdb by Molmil](/molmil-images/mine/4qdb) | |
4QD8
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2IOH
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![BU of 2ioh by Molmil](/molmil-images/mine/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
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![BU of 2iof by Molmil](/molmil-images/mine/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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1JXZ
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![BU of 1jxz by Molmil](/molmil-images/mine/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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1LO9
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![BU of 1lo9 by Molmil](/molmil-images/mine/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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1LO7
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![BU of 1lo7 by Molmil](/molmil-images/mine/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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1LO8
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![BU of 1lo8 by Molmil](/molmil-images/mine/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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1M1B
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![BU of 1m1b by Molmil](/molmil-images/mine/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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1XG3
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![BU of 1xg3 by Molmil](/molmil-images/mine/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
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![BU of 1xg4 by Molmil](/molmil-images/mine/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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1S2W
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![BU of 1s2w by Molmil](/molmil-images/mine/1s2w) | Crystal structure of phosphoenolpyruvate mutase in high ionic strength | Descriptor: | Phosphoenolpyruvate phosphomutase, SULFATE ION | 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 (1.69 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
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1S2T
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![BU of 1s2t by Molmil](/molmil-images/mine/1s2t) | Crystal Structure Of Apo Phosphoenolpyruvate Mutase | Descriptor: | 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 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
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1Z4O
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![BU of 1z4o by Molmil](/molmil-images/mine/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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1S2U
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![BU of 1s2u by Molmil](/molmil-images/mine/1s2u) | Crystal structure of the D58A phosphoenolpyruvate mutase mutant protein | Descriptor: | DI(HYDROXYETHYL)ETHER, 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 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
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1S2V
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![BU of 1s2v by Molmil](/molmil-images/mine/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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1Z4N
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![BU of 1z4n by Molmil](/molmil-images/mine/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
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![BU of 1zol by Molmil](/molmil-images/mine/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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