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PDB: 51 results

3F6E
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BU of 3f6e by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION
Authors:Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F.
Deposit date:2008-11-05
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
3F6B
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BU of 3f6b by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION
Authors:Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F.
Deposit date:2008-11-05
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.
Biochemistry, 48, 2009
3FSJ
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BU of 3fsj by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION
Authors:Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D.
Deposit date:2009-01-09
Release date:2009-01-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009
4MQ5
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BU of 4mq5 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant A306F
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, SODIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-15
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Perturbation of the monomer-monomer interfaces of the benzoylformate decarboxylase tetramer.
Biochemistry, 53, 2014
4MPP
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BU of 4mpp by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-13
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A pseudo study of thiamin diphosphate-dependent decarboxylases
To be Published
4MPR
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BU of 4mpr by Molmil
Benzoylformate Decarboxylase: Is the tetramer vital for activity?
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, CHLORIDE ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-13
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Perturbation of the monomer-monomer interfaces of the benzoylformate decarboxylase tetramer.
Biochemistry, 53, 2014
4MZX
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BU of 4mzx by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxlyase, CALCIUM ION, ...
Authors:Andrews, F.H, McLeish, M.J.
Deposit date:2013-09-30
Release date:2015-04-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.558 Å)
Cite:Mechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced activity towards pyruvate
To be Published
4Q9D
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BU of 4q9d by Molmil
X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis
Descriptor: Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION
Authors:Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J.
Deposit date:2014-04-30
Release date:2015-04-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes.
Biochim.Biophys.Acta, 1854, 2015
4D5G
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BU of 4d5g by Molmil
Structure of recombinant CDH-H28AN484A
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CYCLOHEXANE-1,2-DIONE HYDROLASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M.
Deposit date:2014-11-04
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation.
Angew.Chem.Int.Ed.Engl., 53, 2014
4GM0
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BU of 4gm0 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403N
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GM1
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BU of 4gm1 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403S
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4D5E
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BU of 4d5e by Molmil
Crystal Structure of recombinant wildtype CDH
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M.
Deposit date:2014-11-03
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation.
Angew.Chem.Int.Ed.Engl., 53, 2014
4GM4
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BU of 4gm4 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403I
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GG1
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BU of 4gg1 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403T
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-04
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GPE
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BU of 4gpe by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403M
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-20
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4GP9
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BU of 4gp9 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403F
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-20
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
3IAE
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BU of 3iae by Molmil
Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION
Authors:Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J.
Deposit date:2009-07-13
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition.
J.Am.Chem.Soc., 132, 2010
3IAF
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BU of 3iaf by Molmil
Structure of benzaldehyde lyase A28S mutant with monomethyl benzoylphosphonate
Descriptor: Benzaldehyde lyase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J.
Deposit date:2009-07-13
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition.
J.Am.Chem.Soc., 132, 2010
4K9M
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BU of 4k9m by Molmil
Crystal Structure of the His281Asn mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, MAGNESIUM ION, ...
Authors:Brodkin, H.R, McLeish, M.J.
Deposit date:2013-04-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of the His281Asn mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4K9P
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BU of 4k9p by Molmil
Crystal Structure of the His281Tyr/Ala460Ile Double Mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, GLYCEROL, ...
Authors:Brodkin, H.R, McLeish, M.J.
Deposit date:2013-04-20
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Crystal Structure of the His281Tyr/Ala460Ile Double Mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4K9L
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BU of 4k9l by Molmil
Crystal Structure of the His281Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, ...
Authors:Brodkin, H.R, McLeish, M.J.
Deposit date:2013-04-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Crystal Structure of the His281Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JD5
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BU of 4jd5 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403E
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2013-02-23
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
4K9K
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BU of 4k9k by Molmil
Crystal Structure of the His281Tyr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, MAGNESIUM ION, ...
Authors:Brodkin, H.R, McLeish, M.J.
Deposit date:2013-04-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Crystal Structure of the His281Tyr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4K9N
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BU of 4k9n by Molmil
Crystal Structure of the Ala460Ile mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, GLYCEROL, ...
Authors:Brodkin, H.R, McLeish, M.J.
Deposit date:2013-04-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Ala460Ile mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4K9Q
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BU of 4k9q by Molmil
The Crystal Structure of Benzoylformate Decarboxylase from Polynucleobacter necessarius
Descriptor: Benzoylformate Decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Brodkin, H.R, Novak, W.R.P, McLeish, M.J.
Deposit date:2013-04-20
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:The Crystal Structure of Benzoylformate Decarboxylase from Polynucleobacter necessarius
To be Published

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