1VRP
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![BU of 1vrp by Molmil](/molmil-images/mine/1vrp) | 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
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1MDR
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![BU of 1mdr by Molmil](/molmil-images/mine/1mdr) | 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: | ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE | 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: | 2024-02-14 | 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
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1BFD
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![BU of 1bfd by Molmil](/molmil-images/mine/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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3F6E
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![BU of 3f6e by Molmil](/molmil-images/mine/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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3F6B
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![BU of 3f6b by Molmil](/molmil-images/mine/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
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![BU of 3fsj by Molmil](/molmil-images/mine/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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140D
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![BU of 140d by Molmil](/molmil-images/mine/140d) | 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: | 2024-05-22 | 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
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1BKH
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![BU of 1bkh by Molmil](/molmil-images/mine/1bkh) | 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: | 2024-05-22 | 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
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1DTN
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![BU of 1dtn by Molmil](/molmil-images/mine/1dtn) | |
1MRA
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![BU of 1mra by Molmil](/molmil-images/mine/1mra) | |
1MDL
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![BU of 1mdl by Molmil](/molmil-images/mine/1mdl) | |
2MNR
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![BU of 2mnr by Molmil](/molmil-images/mine/2mnr) | |
1MNS
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![BU of 1mns by Molmil](/molmil-images/mine/1mns) | |
1YNO
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![BU of 1yno by Molmil](/molmil-images/mine/1yno) | |
2FWN
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![BU of 2fwn by Molmil](/molmil-images/mine/2fwn) | |
1MCZ
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![BU of 1mcz by Molmil](/molmil-images/mine/1mcz) | BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE | Descriptor: | (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ... | Authors: | Polovnikova, E.S, Bera, A.K, Hasson, M.S. | Deposit date: | 2002-08-06 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | 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
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1PI3
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![BU of 1pi3 by Molmil](/molmil-images/mine/1pi3) | E28Q mutant 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: | Bera, A.K, Hasson, M.S. | Deposit date: | 2003-05-29 | Release date: | 2004-11-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High resolution structure of Benzoylformate Decarboxylate E28Q mutant To be Published
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1PO7
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![BU of 1po7 by Molmil](/molmil-images/mine/1po7) | |
1Q6Z
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![BU of 1q6z by Molmil](/molmil-images/mine/1q6z) | |
142D
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![BU of 142d by Molmil](/molmil-images/mine/142d) | |
141D
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3D7K
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![BU of 3d7k by Molmil](/molmil-images/mine/3d7k) | Crystal structure of benzaldehyde lyase 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, Benzaldehyde lyase, CALCIUM ION | Authors: | Brandt, G.S. | Deposit date: | 2008-05-21 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | 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
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5DEI
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![BU of 5dei by Molmil](/molmil-images/mine/5dei) | |
5DGD
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![BU of 5dgd by Molmil](/molmil-images/mine/5dgd) | |
5DGT
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![BU of 5dgt by Molmil](/molmil-images/mine/5dgt) | BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 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: | Bera, A.K, Hasson, M.S. | Deposit date: | 2015-08-28 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 FROM PSEUDOMONAS PUTIDA to be published
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