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4JUB
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BU of 4jub by Molmil
Crystal Structure of the His70Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, GLYCEROL, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Crystal Structure of the His70Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JUF
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BU of 4juf by Molmil
Crystal Structure of His281Ala mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, GLYCEROL, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Crystal Structure of His281Ala mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JU9
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BU of 4ju9 by Molmil
Crystal Structure of the His70Leu 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, CALCIUM ION, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.124 Å)
Cite:Crystal Structure of the His70Leu mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JUD
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BU of 4jud by Molmil
Crystal Structure of the Ser26Thr 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, CALCIUM ION, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Ser26Thr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JU8
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BU of 4ju8 by Molmil
Crystal Structure of the His70Phe 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, CALCIUM ION, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Crystal Structure of the His70Phe mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JUC
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BU of 4juc by Molmil
Crystal Structure of the Ser26Met mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, GLYCEROL, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Crystal Structure of the Ser26Met mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
4JUA
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BU of 4jua by Molmil
Crystal Structure of the His70Ser 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, CALCIUM ION, ...
Authors:McLeish, M.J, Brodkin, H.R.
Deposit date:2013-03-24
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of the His70Ser mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
1BFD
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BU of 1bfd by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Descriptor: BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D.
Deposit date:1998-04-30
Release date:1998-06-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes.
Biochemistry, 37, 1998
5WDG
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BU of 5wdg by Molmil
Acetolactate Synthase from Klebsiella pneumoniae in Complex with a Reaction Intermediate
Descriptor: (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid, Acetolactate synthase, catabolic, ...
Authors:Latta, A.J, Andrews, F.H, McLeish, M.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Acetolactate Synthase from Klebsiella pneumoniae in Complex with Mechanism-Based Inhibitor
To Be Published
4QEL
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BU of 4qel by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant H70A
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, Rogers, M.P, Brodkin, H.R, McLeish, M.J.
Deposit date:2014-05-16
Release date:2015-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Structural investigation of benzoylformate decarboxylase active site variants
To be Published
1VRP
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BU of 1vrp by Molmil
The 2.1 Structure of T. californica Creatine Kinase Complexed with the Transition-State Analogue Complex, ADP-Mg 2+ /NO3-/Creatine
Descriptor: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine Kinase, ...
Authors:Lahiri, S.D, Wang, P.F, Babbitt, P.C, McLeish, M.J, Kenyon, G.L, Allen, K.N.
Deposit date:2005-04-25
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1 A Structure of Torpedo californica Creatine Kinase Complexed with the ADP-Mg(2+)-NO3(-)-Creatine Transition-State Analogue Complex
Biochemistry, 41, 2002
1HNN
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BU of 1hnn by Molmil
CRYSTAL STRUCTURE OF HUMAN PNMT COMPLEXED WITH SK&F 29661 AND ADOHCY(SAH)
Descriptor: 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE, PHENYLETHANOLAMINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Martin, J.L, Begun, J, McLeish, M.J, Caine, J.M, Grunewald, G.L.
Deposit date:2000-12-07
Release date:2001-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT.
Structure, 9, 2001
1DJF
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BU of 1djf by Molmil
NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL BASIC PEPTIDE
Descriptor: GLN-ALA-PRO-ALA-TYR-LYS-LYS-ALA-ALA-LYS-LYS-LEU-ALA-GLU-SER
Authors:Montserret, R, McLeish, M.J, Bockmann, A, Geourjon, C, Penin, F.
Deposit date:1999-12-03
Release date:1999-12-10
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
1DNG
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BU of 1dng by Molmil
NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL ACIDIC PEPTIDE
Descriptor: HUMAN PLATELET FACTOR 4, SEGMENT 59-73
Authors:montserret, R, McLeish, M.J, Bockmann, A, Geourjon, C, Penin, F.
Deposit date:1999-12-16
Release date:2000-01-12
Last modified:2018-08-29
Method:SOLUTION NMR
Cite:Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
1DN3
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BU of 1dn3 by Molmil
NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL BASIC PEPTIDE
Descriptor: HUMAN PLATELET FACTOR 4, SEGMENT 59-73
Authors:Montserret, R, McLeish, M.J, Bockmann, A, Geourjon, C, Penin, F.
Deposit date:1999-12-16
Release date:2000-01-12
Last modified:2018-08-29
Method:SOLUTION NMR
Cite:Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
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:2017-08-23
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
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:2015-05-06
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
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
5D6R
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BU of 5d6r by Molmil
Acetolactate Synthase from Klebsiella pneumoniae in Complex with Mechanism-Based Inhibitor
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(Z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Acetolactate synthase, catabolic, ...
Authors:Latta, A.J, Andrews, F.H, McLeish, M.J.
Deposit date:2015-08-12
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:Acetolactate Synthase from Klebsiella pneumoniae in Complex with Mechanism-Based Inhibitor
To Be Published
5DX6
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BU of 5dx6 by Molmil
Acetolactate Synthase from Klebsiella pneumoniae soaked with beta-fluoropyruvate
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, 3-fluoro-2-oxopropanoic acid, Acetolactate synthase, ...
Authors:Latta, A.J, McLeish, M.J, Andrews, F.H.
Deposit date:2015-09-23
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of Acetolactate Synthase from Klebsiella pneumoniae
To Be Published
1YZ3
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BU of 1yz3 by Molmil
Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139
Descriptor: 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wu, Q, Gee, C.L, Lin, F, Martin, J.L, Grunewald, G.L, McLeish, M.J.
Deposit date:2005-02-27
Release date:2006-02-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase
J.Med.Chem., 48, 2005
2AN5
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BU of 2an5 by Molmil
Structure of human PNMT complexed with S-adenosyl-homocysteine and an inhibitor, trans-(1S,2S)-2-amino-1-tetralol
Descriptor: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L.
Deposit date:2005-08-11
Release date:2006-03-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
2AN3
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BU of 2an3 by Molmil
Structure of PNMT with S-adenosyl-L-homocysteine and the semi-rigid analogue acceptor substrate cis-(1R,2S)-2-amino-1-tetralol.
Descriptor: CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L.
Deposit date:2005-08-11
Release date:2006-03-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005

 

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