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2QW0
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BU of 2qw0 by Molmil
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
2QVY
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BU of 2qvy by Molmil
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
2QVX
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BU of 2qvx by Molmil
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
3QU9
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BU of 3qu9 by Molmil
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
4QD9
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BU of 4qd9 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with benzoyl-dO-CoA
Descriptor: Thioesterase PA1618, benzoyl-oxydephosphocoenzyme A
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDA
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BU of 4qda by Molmil
Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD7
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BU of 4qd7 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDB
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BU of 4qdb by Molmil
Crystal structure of mutant Thioesterase PA1618 (Q49A) from Pseudomonas aeruginosa
Descriptor: Thioesterase PA1618
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD8
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BU of 4qd8 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with phenacyl-CoA
Descriptor: Thioesterase PA1618, phenacyl coenzyme A
Authors:Ji, T, Allen, K.N, Dunaway-Mariano, D.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.616 Å)
Cite:Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
2IOH
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BU of 2ioh by Molmil
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
2IOF
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BU of 2iof by Molmil
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
1JXZ
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BU of 1jxz by Molmil
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
1LO9
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BU of 1lo9 by Molmil
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
1LO7
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BU of 1lo7 by Molmil
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
1LO8
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BU of 1lo8 by Molmil
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
1M1B
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BU of 1m1b by Molmil
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
1XG3
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BU of 1xg3 by Molmil
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
1XG4
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BU of 1xg4 by Molmil
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
1S2W
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BU of 1s2w by Molmil
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
1S2T
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BU of 1s2t by Molmil
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
1Z4O
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BU of 1z4o by Molmil
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
1S2U
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BU of 1s2u by Molmil
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
1S2V
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BU of 1s2v by Molmil
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
1Z4N
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BU of 1z4n by Molmil
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
1ZOL
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BU of 1zol by Molmil
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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