1N7I
 
 | | The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and the inhibitor LY134046 | | Descriptor: | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | McMillan, F.M, Archbold, J, McLeish, M.J, Caine, J.M, Criscione, K.R, Grunewald, G.L, Martin, J.L. | | Deposit date: | 2002-11-15 | | Release date: | 2003-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
J.Med.Chem., 47, 2004
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1N7J
 | | The structure of Phenylethanolamine N-methyltransferase in complex with S-adenosylhomocysteine and an iodinated inhibitor | | Descriptor: | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | McMillan, F.M, Archbold, J, McLeish, M.J, Caine, J.M, Criscione, K.R, Grunewald, G.L, Martin, J.L. | | Deposit date: | 2002-11-15 | | Release date: | 2003-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
J.Med.Chem., 47, 2004
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3F6B
 | | 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
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3FSJ
 | | 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
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3F6E
 | | 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
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4K9P
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4MPJ
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4MPR
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4MPP
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4MQ5
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4K9L
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4K9K
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4MZX
 | | 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
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1BFD
 | | 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
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1DJF
 | | 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: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
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1DNG
 | | 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: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
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1DN3
 | | 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: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
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3IAE
 | | 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
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3IAF
 | | 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
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4GM1
 | | 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
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4GM4
 | | 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
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4GPE
 | | 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
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4GP9
 | | 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
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4GM0
 | | 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
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4GG1
 | | 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
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