4FEE
 
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FEG
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3OE1
 | | Pyruvate decarboxylase variant Glu473Asp from Z. mobilis in complex with reaction intermediate 2-lactyl-ThDP | | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Meyer, D, Neumann, P, Parthier, C, Tittmann, K. | | Deposit date: | 2010-08-12 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Double duty for a conserved glutamate in pyruvate decarboxylase: evidence of the participation in stereoelectronically controlled decarboxylation and in protonation of the nascent carbanion/enamine intermediate .
Biochemistry, 49, 2010
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3KFB
 | | Crystal structure of a group II chaperonin from Methanococcus maripaludis | | Descriptor: | Chaperonin, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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3KFE
 | | Crystal structures of a group II chaperonin from Methanococcus maripaludis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION, ... | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-23 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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3KFK
 | | Crystal structures of a group II chaperonin from Methanococcus maripaludis | | Descriptor: | Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | | Deposit date: | 2009-10-27 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (6.003 Å) | | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
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4JQ9
 | | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex | | Descriptor: | CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K. | | Deposit date: | 2013-03-20 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
TO BE PUBLISHED
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2EZ8
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-lactyl-thiamin diphosphate | | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | Deposit date: | 2005-11-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.963 Å) | | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZ4
 | | Pyruvate oxidase variant F479W | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | Deposit date: | 2005-11-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZT
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | Deposit date: | 2005-11-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZU
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate 2-acetyl-thiamin diphosphate | | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | Deposit date: | 2005-11-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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2EZ9
 | | Pyruvate oxidase variant F479W in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate | | Descriptor: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Wille, G, Meyer, D, Steinmetz, A, Hinze, E, Golbik, R, Tittmann, K. | | Deposit date: | 2005-11-10 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The catalytic cycle of a thiamin diphosphate enzyme examined by cryocrystallography.
Nat.Chem.Biol., 2, 2006
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3FZN
 | | Intermediate analogue in benzoylformate decarboxylase | | 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, CHLORIDE ION, ... | | Authors: | Bruning, M, Berheide, M, Meyer, D, Golbik, R, Bartunik, H, Liese, A, Tittmann, K. | | Deposit date: | 2009-01-26 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural and kinetic studies on native intermediates and an intermediate analogue in benzoylformate decarboxylase reveal a least motion mechanism with an unprecedented short-lived predecarboxylation intermediate.
Biochemistry, 48, 2009
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4KGD
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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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3KDU
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3KDT
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4OV6
 | | Crystal structure of PCSK9(53-451) with Adnectin | | Descriptor: | 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Khan, J.A. | | Deposit date: | 2014-02-20 | | Release date: | 2014-07-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering.
J.Pharmacol.Exp.Ther., 350, 2014
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4ZP1
 | | Crystal structure of Zymomonas mobilis pyruvate decarboxylase variant Glu473Ala | | Descriptor: | GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ... | | Authors: | Wechsler, C, Neumann, P, Tittmann, K. | | Deposit date: | 2015-05-07 | | Release date: | 2015-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | Tuning and Switching Enantioselectivity of Asymmetric Carboligation in an Enzyme through Mutational Analysis of a Single Hot Spot.
Chembiochem, 16, 2015
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