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1MDR
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THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE
Descriptor:MANDELATE RACEMASE, MAGNESIUM ION, ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Authors:Landro, J.A., Gerlt, J.A., Kozarich, J.W., Koo, C.W., Shah, V.J., Kenyon, G.L., Neidhart, D.J., Fujita, S., Petsko, G.A.
Deposit date:1993-11-19
Release date:1994-08-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Biochemistry, 33, 1994
1BFD
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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:2011-11-16
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
140D
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SOLUTION STRUCTURE OF A CONSERVED DNA SEQUENCE FROM THE HIV-1 GENOME: RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE RESTRAINTS DERIVED FROM TWO-DIMENSIONAL NMR SPECTRA
Descriptor:DNA (5'-D(*AP*GP*CP*TP*TP*GP*CP*CP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*GP*GP*CP*AP*AP*GP*CP*T)-3')
Authors:Mujeeb, A., Kerwin, S.M., Kenyon, G.L., James, T.L.
Deposit date:1993-09-24
Release date:1994-04-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a conserved DNA sequence from the HIV-1 genome: restrained molecular dynamics simulation with distance and torsion angle restraints derived from two-dimensional NMR spectra.
Biochemistry, 32, 1993
1BKH
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MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA
Descriptor:MUCONATE LACTONIZING ENZYME
Authors:Hasson, M.S., Schlichting, I., Moulai, J., Taylor, K., Barrett, W., Kenyon, G.L., Babbitt, P.C., Gerlt, J.A., Petsko, G.A., Ringe, D.
Deposit date:1998-07-07
Release date:1998-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of an enzyme active site: the structure of a new crystal form of muconate lactonizing enzyme compared with mandelate racemase and enolase.
Proc.Natl.Acad.Sci.USA, 95, 1998
1VRP
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THE 2.1 STRUCTURE OF T. CALIFORNICA CREATINE KINASE COMPLEXED WITH THE TRANSITION-STATE ANALOGUE COMPLEX, ADP-MG 2+ /NO3-/CREATINE
Descriptor:Creatine Kinase, M chain, MAGNESIUM ION, ...
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:2011-07-13
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
3F6B
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CRYSTAL STRUCTURE OF BENZOYLFORMATE DECARBOXYLASE IN COMPLEX WITH THE PYRIDYL INHIBITOR PAA
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, 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
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:2017-10-25
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
3F6E
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CRYSTAL STRUCTURE OF BENZOYLFORMATE DECARBOXYLASE IN COMPLEX WITH THE PYRIDYL INHIBITOR 3-PKB
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, 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
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:2017-10-25
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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CRYSTAL STRUCTURE OF BENZOYLFORMATE DECARBOXYLASE IN COMPLEX WITH THE INHIBITOR MBP
Descriptor:Benzoylformate decarboxylase, 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, 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:2011-07-13
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
1DTN
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MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE
Descriptor:MANDELATE RACEMASE, MAGNESIUM ION, ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Authors:Clifton, J.G., Petsko, G.A.
Deposit date:1996-03-28
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: importance of electrophilic catalysis by glutamic acid 317.
Biochemistry, 34, 1995
1MDL
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MANDELATE RACEMASE MUTANT K166R CO-CRYSTALLIZED WITH (R)-MANDELATE
Descriptor:MANDELATE RACEMASE, MAGNESIUM ION, (R)-MANDELIC ACID, ...
Authors:Clifton, J.G., Petsko, G.A.
Deposit date:1996-03-29
Release date:1996-10-14
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the K166R mutant.
Biochemistry, 34, 1995
1MNS
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ON THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE
Descriptor:MANDELATE RACEMASE, MAGNESIUM ION, ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Authors:Neidhart, D.J., Landro, J.A., Kozarich, J.W.
Deposit date:1993-07-06
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Biochemistry, 33, 1994
1MRA
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MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE
Descriptor:MANDELATE RACEMASE, MAGNESIUM ION, ATROLACTIC ACID (2-PHENYL-LACTIC ACID)
Authors:Clifton, J.G., Petsko, G.A.
Deposit date:1996-03-12
Release date:1996-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the D270N mutant.
Biochemistry, 35, 1996
1MCZ
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BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE
Descriptor:BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, THIAMIN DIPHOSPHATE, ...
Authors:Polovnikova, E.S., Bera, A.K., Hasson, M.S.
Deposit date:2002-08-06
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Kinetic Analysis of Catalysis by a Thiamin Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase
Biochemistry, 42, 2003
2MNR
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MECHANISM OF THE REACTION CATALYZED BY MANDELATE RACEMASE. 2. CRYSTAL STRUCTURE OF MANDELATE RACEMASE AT 2.5 ANGSTROMS RESOLUTION: IDENTIFICATION OF THE ACTIVE SITE AND POSSIBLE CATALYTIC RESIDUES
Descriptor:MANDELATE RACEMASE, MANGANESE (II) ION, SULFATE ION
Authors:Neidhart, D.J., Petsko, G.A.
Deposit date:1993-07-06
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase. 2. Crystal structure of mandelate racemase at 2.5-A resolution: identification of the active site and possible catalytic residues.
Biochemistry, 30, 1991
141D
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SOLUTION STRUCTURE OF A CONSERVED DNA SEQUENCE FROM THE HIV-1 GENOME: RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE RESTRAINTS DERIVED FROM TWO-DIMENSIONAL NMR SPECTRA
Descriptor:DNA (5'-D(*AP*GP*CP*TP*TP*GP*CP*CP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*GP*GP*CP*AP*AP*GP*CP*T)-3')
Authors:Mujeeb, A., James, T.L.
Deposit date:1993-09-24
Release date:1994-04-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a conserved DNA sequence from the HIV-1 genome: restrained molecular dynamics simulation with distance and torsion angle restraints derived from two-dimensional NMR spectra.
Biochemistry, 32, 1993
142D
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SOLUTION STRUCTURE OF A CONSERVED DNA SEQUENCE FROM THE HIV-1 GENOME: RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE RESTRAINTS DERIVED FROM TWO-DIMENSIONAL NMR SPECTRA
Descriptor:DNA (5'-D(*AP*GP*CP*TP*TP*GP*CP*CP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*GP*GP*CP*AP*AP*GP*CP*T)-3')
Authors:Mujeeb, A., James, T.L.
Deposit date:1993-09-24
Release date:1994-04-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a conserved DNA sequence from the HIV-1 genome: restrained molecular dynamics simulation with distance and torsion angle restraints derived from two-dimensional NMR spectra.
Biochemistry, 32, 1993
1PI3
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E28Q MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2003-05-29
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High resolution structure of Benzoylformate Decarboxylate E28Q mutant
To be Published
1PO7
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HIGH RESOLUTION STRUCTURE OF E28A MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2003-06-13
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High Resolution Structure of E28A Mutant Benzoylformate Decarboxylase from Pseudomonas Putida
To be Published
1Q6Z
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HIGH RESOLUTION STRUCTURE OF E28A MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH THIAMIN THIAZOLONE DIPHOSPHATE
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2003-08-14
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:High Resolution Structure of E28A Mutant Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamin Thiazolone Diphosphate
To be Published
1YNO
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HIGH RESOLUTION STRUCTURE OF BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH THIAMINE THIAZOLONE DIPHOSPHATE
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2005-01-24
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:High Resolution Structure of Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamine Thiazolone Diphosphate;
To be Published
2FWN
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PHOSPHORYLATION OF AN ACTIVE SITE SERINE IN A THDP-DEPENDENT ENZYME BY PHOSPHONATE INACTIVATION
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2006-02-02
Release date:2006-12-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism-based inactivation of benzoylformate decarboxylase, a thiamin diphosphate-dependent enzyme
J.Am.Chem.Soc., 129, 2007
3D7K
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CRYSTAL STRUCTURE OF BENZALDEHYDE LYASE IN COMPLEX WITH THE INHIBITOR MBP
Descriptor:Benzaldehyde lyase, CALCIUM ION, 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
Authors:Brandt, G.S.
Deposit date:2008-05-21
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester
Biochemistry, 47, 2008
5DEI
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BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Descriptor:Benzoylformate decarboxylase, BICARBONATE ION, THIAMIN DIPHOSPHATE, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2015-08-25
Release date:2015-09-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
to be published
5DGD
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BENZOYLFORMATE DECARBOXYLASE F464I AND A460V MUTANT FROM PSEUDOMONAS PUTIDA
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2015-08-27
Release date:2015-09-16
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Benzoylformate decarboxylase F464I and A460V mutant from Pseudomonas putida
to be published
5DGT
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BENZOYLFORMATE DECARBOXYLASE H70A MUTANT AT PH 8.5 FROM PSEUDOMONAS PUTIDA
Descriptor:Benzoylformate decarboxylase, MAGNESIUM ION, CALCIUM ION, ...
Authors:Bera, A.K., Hasson, M.S.
Deposit date:2015-08-28
Release date:2015-09-23
Method:X-RAY DIFFRACTION (1.081 Å)
Cite:BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 FROM PSEUDOMONAS PUTIDA
to be published