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3F6E
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BU of 3f6e by Molmil
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
3F6B
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BU of 3f6b by Molmil
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
3FSJ
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BU of 3fsj by Molmil
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
6H05
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BU of 6h05 by Molmil
Cryo-electron microscopic structure of the dihydrolipoamide succinyltransferase (E2) component of the human alpha-ketoglutarate (2-oxoglutarate) dehydrogenase complex [residues 218-453]
Descriptor: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial
Authors:Nagy, B, Zambo, Z, Hubert, A, Polak, M, Nemeria, N.S, Novacek, J, Jordan, F, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-07-06
Release date:2020-01-22
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the dihydrolipoamide succinyltransferase (E2) component of the human alpha-ketoglutarate dehydrogenase complex (hKGDHc) revealed by cryo-EM and cross-linking mass spectrometry: Implications for the overall hKGDHc structure.
Biochim Biophys Acta Gen Subj, 1865, 2021
6HG8
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BU of 6hg8 by Molmil
Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Ambrus, A, Szabo, E, Weichsel, A, Bui, D, Wilk, P, Torocsik, B, Weiss, M.S, Montfort, W.R, Jordan, F, Adam-Vizi, V.
Deposit date:2018-08-22
Release date:2019-09-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
To Be Published
1PYD
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BU of 1pyd by Molmil
CATALYTIC CENTERS IN THE THIAMIN DIPHOSPHATE DEPENDENT ENZYME PYRUVATE DECARBOXYLASE AT 2.4 ANGSTROMS RESOLUTION
Descriptor: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, THIAMINE DIPHOSPHATE
Authors:Furey, W, Dyda, F.
Deposit date:1993-03-23
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic centers in the thiamin diphosphate dependent enzyme pyruvate decarboxylase at 2.4-A resolution.
Biochemistry, 32, 1993
1PVD
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BU of 1pvd by Molmil
CRYSTAL STRUCTURE OF THE THIAMIN DIPHOSPHATE DEPENDENT ENZYME PYRUVATE DECARBOXYLASE FROM THE YEAST SACCHAROMYCES CEREVISIAE AT 2.3 ANGSTROMS RESOLUTION
Descriptor: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P.
Deposit date:1995-04-20
Release date:1995-07-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the thiamin diphosphate-dependent enzyme pyruvate decarboxylase from the yeast Saccharomyces cerevisiae at 2.3 A resolution.
J.Mol.Biol., 256, 1996
6U3J
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BU of 6u3j by Molmil
Structure of the 2-oxoadipate dehydrogenase DHTKD1
Descriptor: 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, MAGNESIUM ION, ...
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2019-08-21
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Acs Chem.Biol., 15, 2020
4QOY
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BU of 4qoy by Molmil
Novel binding motif and new flexibility revealed by structural analysis of a pyruvate dehydrogenase-dihydrolipoyl acetyltransferase sub-complex from the escherichia coli pyruvate dehydrogenase multi-enzyme complex
Descriptor: Pyruvate dehydrogenase (Dihydrolipoyltransacetylase component), Pyruvate dehydrogenase E1 component
Authors:Furey, W, Arjunan, P.
Deposit date:2014-06-20
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel Binding Motif and New Flexibility Revealed by Structural Analyses of a Pyruvate Dehydrogenase-Dihydrolipoyl Acetyltransferase Subcomplex from the Escherichia coli Pyruvate Dehydrogenase Multienzyme Complex.
J.Biol.Chem., 289, 2014
3D7K
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BU of 3d7k by Molmil
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
6CER
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BU of 6cer by Molmil
Human pyruvate dehydrogenase complex E1 component V138M mutation
Descriptor: MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ...
Authors:Whitley, M.J, Arjunan, P, Furey, W.
Deposit date:2018-02-12
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase.
J. Biol. Chem., 293, 2018
6CFO
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BU of 6cfo by Molmil
HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
Authors:ARJUNAN, P, WHITLEY, M.J, FUREY, W.
Deposit date:2018-02-15
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase.
J. Biol. Chem., 293, 2018
2QTC
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BU of 2qtc by Molmil
E. coli Pyruvate dehydrogenase E1 component E401K mutant with phosphonolactylthiamin 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, MAGNESIUM ION, Pyruvate dehydrogenase E1 component
Authors:Furey, W, Arjunan, P, Chandrasekhar, K.
Deposit date:2007-08-01
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A Dynamic Loop at the Active Center of the Escherichia coli Pyruvate Dehydrogenase Complex E1 Component Modulates Substrate Utilization and Chemical Communication with the E2 Component
J.Biol.Chem., 282, 2007
4JDR
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BU of 4jdr by Molmil
Dihydrolipoamide dehydrogenase of pyruvate dehydrogenase from escherichia coli
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Chandrasekhar, K, Arjunan, P, Furey, W.
Deposit date:2013-02-25
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight to the Interaction of the Dihydrolipoamide Acetyltransferase (E2) Core with the Peripheral Components in the Escherichia coli Pyruvate Dehydrogenase Complex via Multifaceted Structural Approaches.
J.Biol.Chem., 288, 2013
2QTA
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BU of 2qta by Molmil
E. coli Pyruvate dehydrogenase E1 component E401K mutant with thiamin diphosphate
Descriptor: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P, Chandrasekhar, K.
Deposit date:2007-08-01
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Dynamic Loop at the Active Center of the Escherichia coli Pyruvate Dehydrogenase Complex E1 Component Modulates Substrate Utilization and Chemical Communication with the E2 Component
J.Biol.Chem., 282, 2007
3LPL
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BU of 3lpl by Molmil
E. coli pyruvate dehydrogenase complex E1 component E571A mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Furey, W.
Deposit date:2010-02-05
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3LQ2
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BU of 3lq2 by Molmil
E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Furey, W.
Deposit date:2010-02-08
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3LQ4
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BU of 3lq4 by Molmil
E. coli pyruvate dehydrogenase complex E1 E235A mutant with high TDP concentration
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Furey, W.
Deposit date:2010-02-08
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3OE1
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BU of 3oe1 by Molmil
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
8BEO
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BU of 8beo by Molmil
Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ...
Authors:Shaanan, B, Binshtein, E.
Deposit date:2022-10-21
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
To Be Published
6I4Q
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BU of 6i4q by Molmil
Crystal structure of the human dihydrolipoamide dehydrogenase at 1.75 Angstrom resolution
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Nagy, B, Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-10
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
6I4U
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BU of 6i4u by Molmil
Crystal structure of the disease-causing G426E mutant of the human dihydrolipoamide dehydrogenase
Descriptor: Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Szabo, E, Wilk, P, Hubert, A, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-10
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
6I4Z
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BU of 6i4z by Molmil
Crystal structure of the disease-causing P453L mutant of the human dihydrolipoamide dehydrogenase
Descriptor: Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-12
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
6I4P
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BU of 6i4p by Molmil
Crystal structure of the disease-causing G194C mutant of the human dihydrolipoamide dehydrogenase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-10
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
6I4R
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BU of 6i4r by Molmil
Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-10
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019

 

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