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3FSJ
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BU of 3fsj by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP
分子名称: 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
著者Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D.
登録日2009-01-09
公開日2009-01-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009
140D
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BU of 140d by Molmil
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
分子名称: 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')
著者Mujeeb, A, Kerwin, S.M, Kenyon, G.L, James, T.L.
登録日1993-09-24
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
1BFD
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BU of 1bfd by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
分子名称: BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ...
著者Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D.
登録日1998-04-30
公開日1998-06-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes.
Biochemistry, 37, 1998
3F6E
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BU of 3f6e by Molmil
Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB
分子名称: 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
著者Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F.
登録日2008-11-05
公開日2008-12-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献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
分子名称: 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
著者Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F.
登録日2008-11-05
公開日2008-12-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献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
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
分子名称: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine Kinase, ...
著者Lahiri, S.D, Wang, P.F, Babbitt, P.C, McLeish, M.J, Kenyon, G.L, Allen, K.N.
登録日2005-04-25
公開日2005-05-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
1BKH
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BU of 1bkh by Molmil
MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA
分子名称: MUCONATE LACTONIZING ENZYME
著者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.
登録日1998-07-07
公開日1998-10-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
1MDR
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BU of 1mdr by Molmil
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
分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
著者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.
登録日1993-11-19
公開日1994-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
2MNR
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BU of 2mnr by Molmil
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
分子名称: MANDELATE RACEMASE, MANGANESE (II) ION, SULFATE ION
著者Neidhart, D.J, Petsko, G.A.
登録日1993-07-06
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
1DTN
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MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE
分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
著者Clifton, J.G, Petsko, G.A.
登録日1996-03-28
公開日1996-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of the reaction catalyzed by mandelate racemase: importance of electrophilic catalysis by glutamic acid 317.
Biochemistry, 34, 1995
1YNO
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BU of 1yno by Molmil
High Resolution Structure of Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamine Thiazolone Diphosphate
分子名称: 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, ...
著者Bera, A.K, Hasson, M.S.
登録日2005-01-24
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献High Resolution Structure of Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamine Thiazolone Diphosphate;
To be Published
1MRA
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BU of 1mra by Molmil
MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE
分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
著者Clifton, J.G, Petsko, G.A.
登録日1996-03-12
公開日1996-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the D270N mutant.
Biochemistry, 35, 1996
1PI3
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E28Q mutant Benzoylformate Decarboxylase From Pseudomonas Putida
分子名称: 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, ...
著者Bera, A.K, Hasson, M.S.
登録日2003-05-29
公開日2004-11-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: 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, ...
著者Bera, A.K, Hasson, M.S.
登録日2003-06-13
公開日2004-11-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: 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, ...
著者Bera, A.K, Hasson, M.S.
登録日2003-08-14
公開日2004-11-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献High Resolution Structure of E28A Mutant Benzoylformate Decarboxylase from Pseudomonas Putida Complexed with Thiamin Thiazolone Diphosphate
To be Published
142D
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BU of 142d by Molmil
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
分子名称: 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')
著者Mujeeb, A, James, T.L.
登録日1993-09-24
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
141D
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BU of 141d by Molmil
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
分子名称: 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')
著者Mujeeb, A, James, T.L.
登録日1993-09-24
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
2FWN
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BU of 2fwn by Molmil
Phosphorylation of an active site serine in a ThDP-dependent enzyme by phosphonate inactivation
分子名称: Benzoylformate decarboxylase, CALCIUM ION, MAGNESIUM ION, ...
著者Bera, A.K, Hasson, M.S.
登録日2006-02-02
公開日2006-12-19
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism-based inactivation of benzoylformate decarboxylase, a thiamin diphosphate-dependent enzyme
J.Am.Chem.Soc., 129, 2007
1MDL
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BU of 1mdl by Molmil
MANDELATE RACEMASE MUTANT K166R CO-CRYSTALLIZED WITH (R)-MANDELATE
分子名称: (R)-MANDELIC ACID, (S)-MANDELIC ACID, MAGNESIUM ION, ...
著者Clifton, J.G, Petsko, G.A.
登録日1996-03-29
公開日1996-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the K166R mutant.
Biochemistry, 34, 1995
3D7K
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BU of 3d7k by Molmil
Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP
分子名称: 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
著者Brandt, G.S.
登録日2008-05-21
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester
Biochemistry, 47, 2008
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
分子名称: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
著者Neidhart, D.J, Landro, J.A, Kozarich, J.W.
登録日1993-07-06
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1MCZ
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BU of 1mcz by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE
分子名称: (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ...
著者Polovnikova, E.S, Bera, A.K, Hasson, M.S.
登録日2002-08-06
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and Kinetic Analysis of Catalysis by a Thiamin Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase
Biochemistry, 42, 2003
5DEI
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BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
分子名称: BICARBONATE ION, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Bera, A.K, Hasson, M.S.
登録日2015-08-25
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
to be published
5DGD
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Benzoylformate decarboxylase F464I and A460V mutant from Pseudomonas putida
分子名称: Benzoylformate decarboxylase, CALCIUM ION, MAGNESIUM ION, ...
著者Bera, A.K, Hasson, M.S.
登録日2015-08-27
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献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
分子名称: 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, ...
著者Bera, A.K, Hasson, M.S.
登録日2015-08-28
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.081 Å)
主引用文献BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 FROM PSEUDOMONAS PUTIDA
to be published

223166

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