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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2RB5
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2RAV
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2RAR
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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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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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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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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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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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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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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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4EZE
| Crystal structure of had family hydrolase t0658 from Salmonella enterica subsp. enterica serovar Typhi (Target EFI-501419) | Descriptor: | CHLORIDE ION, Haloacid dehalogenase-like hydrolase, SODIUM ION | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-02 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of had hydrolase t0658 from Salmonella enterica (Target EFI-501419) To be Published
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4F72
| Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, asp12ala mutant, complex with magnesium and inorganic phosphate | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Patskovsky, Y, Farelli, J.D, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Zencheck, W.D, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088) To be Published
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4F71
| Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, wild-type protein, complex with magnesium and inorganic phosphate | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088) To be Published
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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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4QD9
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4QDA
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4QD7
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4QDB
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4QD8
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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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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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1OQF
| Crystal structure of the 2-methylisocitrate lyase | Descriptor: | 2-methylisocitrate lyase | Authors: | Liu, S, Lu, Z, Dunaway-Mariano, D, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2003-03-08 | Release date: | 2004-04-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.93 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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