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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1LVH
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![BU of 1lvh by Molmil](/molmil-images/mine/1lvh) | The Structure of Phosphorylated beta-phosphoglucomutase from Lactoccocus lactis to 2.3 angstrom resolution | Descriptor: | MAGNESIUM ION, beta-phosphoglucomutase | Authors: | Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2002-05-28 | Release date: | 2002-08-14 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Caught in the act: the structure of phosphorylated beta-phosphoglucomutase from Lactococcus lactis. Biochemistry, 41, 2002
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2ODA
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![BU of 2oda by Molmil](/molmil-images/mine/2oda) | Crystal Structure of PSPTO_2114 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypothetical protein PSPTO_2114, MAGNESIUM ION | Authors: | Peisach, E, Allen, K.N, Dunaway-Mariano, D, Wang, L, Burroughs, A.M, Aravind, L. | Deposit date: | 2006-12-22 | Release date: | 2007-09-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The X-ray crystallographic structure and activity analysis of a Pseudomonas-specific subfamily of the HAD enzyme superfamily evidences a novel biochemical function. Proteins, 70, 2007
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3E84
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![BU of 3e84 by Molmil](/molmil-images/mine/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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3DLP
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![BU of 3dlp by Molmil](/molmil-images/mine/3dlp) | 4-Chlorobenzoyl-CoA Ligase/Synthetase, Mutant D402P, bound to 4CB | Descriptor: | 4-CHLORO-BENZOIC ACID, 4-Chlorobenzoate CoA Ligase/Synthetase | Authors: | Wu, R, Cao, J, Reger, A.S, Lu, X, Gulick, A.M, Dunaway-Mariano, D. | Deposit date: | 2008-06-28 | Release date: | 2009-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The mechanism of domain alternation in the acyl-adenylate forming ligase superfamily member 4-chlorobenzoate: coenzyme A ligase Biochemistry, 48, 2009
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2FUE
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![BU of 2fue by Molmil](/molmil-images/mine/2fue) | Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1 | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2006-01-26 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J.Biol.Chem., 281, 2006
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2FUC
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![BU of 2fuc by Molmil](/molmil-images/mine/2fuc) | Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound | Descriptor: | MAGNESIUM ION, Phosphomannomutase 1 | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2006-01-26 | Release date: | 2006-03-21 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J.Biol.Chem., 281, 2006
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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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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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4K4D
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![BU of 4k4d by Molmil](/molmil-images/mine/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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4K4C
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![BU of 4k4c by Molmil](/molmil-images/mine/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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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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4K49
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![BU of 4k49 by Molmil](/molmil-images/mine/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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4K4B
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![BU of 4k4b by Molmil](/molmil-images/mine/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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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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4K4A
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![BU of 4k4a by Molmil](/molmil-images/mine/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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1O03
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![BU of 1o03 by Molmil](/molmil-images/mine/1o03) | Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 6-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 (1.4 Å) | Cite: | The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction. Science, 299, 2003
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1O08
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![BU of 1o08 by Molmil](/molmil-images/mine/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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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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2RBK
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![BU of 2rbk by Molmil](/molmil-images/mine/2rbk) | |
4OFZ
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![BU of 4ofz by Molmil](/molmil-images/mine/4ofz) | Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi | Descriptor: | MAGNESIUM ION, Trehalose-phosphatase | Authors: | Farelli, J.D, Allen, K.N, Carlow, C.K.S, Dunaway-Mariano, D. | Deposit date: | 2014-01-15 | Release date: | 2014-07-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Trehalose-6-phosphate Phosphatase from Brugia malayi Reveals Key Design Principles for Anthelmintic Drugs. Plos Pathog., 10, 2014
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2QVZ
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![BU of 2qvz by Molmil](/molmil-images/mine/2qvz) | 4-Chlorobenzoyl-CoA Ligase/Synthetase, I303A mutation, bound to 3-Chlorobenzoate | Descriptor: | 3-chlorobenzoate, 4-Chlorobenzoate CoA Ligase/Synthetase | 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 (2.5 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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