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5J71
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS35
Descriptor:[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, L(+)-TARTARIC ACID, ...
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Wynn, R.M., Chuang, D.T.
Deposit date:2016-04-05
Release date:2017-01-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
5J6A
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS46
Descriptor:[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Wynn, R.M., Chuang, D.T.
Deposit date:2016-04-04
Release date:2017-01-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
4MPN
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS10
Descriptor:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, ...
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
Deposit date:2013-09-13
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MP2
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PA1
Descriptor:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone, ...
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
Deposit date:2013-09-12
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MP7
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PA7
Descriptor:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, ...
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
Deposit date:2013-09-12
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPC
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS2
Descriptor:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, L(+)-TARTARIC ACID, ...
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
Deposit date:2013-09-12
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPE
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS8
Descriptor:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, ...
Authors:Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
Deposit date:2013-09-12
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4H81
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/(R)-2-CHLORO-3-PHENYLPROPANOIC ACID COMPLEX WITH ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-09-21
Release date:2013-06-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
4H85
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/(R)-ALPHA-CHLOROISOCAPROATE COMPLEX WITH ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-09-21
Release date:2013-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
4H7Q
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE IN COMPLEX WITH ALPHA-KETOISOCAPROIC ACID AND ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-09-20
Release date:2013-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
4E01
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/3,6-DICHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID COMPLEX WITH AMPPNP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-03-02
Release date:2013-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
To be Published
4E02
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/(S)-2-CHLORO-3-PHENYLPROPANOIC ACID COMPLEX WITH AMPPNP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-03-02
Release date:2013-03-13
Method:X-RAY DIFFRACTION (2.1547 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
To be Published
4DZY
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/(S)-2-CHLORO-3-PHENYLPROPANOIC ACID COMPLEX WITH ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-03-01
Release date:2013-03-27
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
4E00
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/3,6-DICHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID COMPLEX WITH ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2012-03-01
Release date:2013-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP
To be Published
4DA1
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE PHOSPHATASE WITH MG (II) IONS AT THE ACTIVE SITE
Descriptor:Protein phosphatase 1K, mitochondrial, BETA-MERCAPTOETHANOL, ...
Authors:Brautigam, C.A., Chuang, J.L., Chuang, D.T.
Deposit date:2012-01-12
Release date:2012-02-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.383 Å)
Cite:Structural and biochemical characterization of human mitochondrial branched-chain alpha-ketoacid dehydrogenase phosphatase.
J.Biol.Chem., 287, 2012
3VAD
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CRYSTAL STRUCTURE OF I170F MUTANT BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE IN COMPLEX WITH 3,6-DICHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Ahmed, K., Gui, W.J., Tso, S.C., Chuang, J.L., Wynn, R.M., Chuang, D.T.
Deposit date:2011-12-29
Release date:2013-01-16
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
To be Published
3TZ4
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/S-ALPHA-CHLOROISOCAPROATE COMPLEX WITH ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2011-09-27
Release date:2012-10-03
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
3TZ5
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/PHENYLBUTYRATE COMPLEX WITH ADP
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2011-09-27
Release date:2012-10-03
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
3TZ0
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/S-ALPHA-CHLOROISOCAPROATE COMPLEX
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, (2S)-2-chloro-4-methylpentanoic acid
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2011-09-26
Release date:2012-10-03
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
3TZ2
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CRYSTAL STRUCTURE OF BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE/PHENYLBUTYRATE COMPLEX
Descriptor:[3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, 4-PHENYL-BUTANOIC ACID
Authors:Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Deposit date:2011-09-26
Release date:2012-10-03
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Proc.Natl.Acad.Sci.USA, 2013
3RNM
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THE CRYSTAL STRUCTURE OF THE SUBUNIT BINDING OF HUMAN DIHYDROLIPOAMIDE TRANSACYLASE (E2B) BOUND TO HUMAN DIHYDROLIPOAMIDE DEHYDROGENASE (E3)
Descriptor:Dihydrolipoyl dehydrogenase, mitochondrial, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, ...
Authors:Brautigam, C.A., Wynn, R.M., Chuang, J.C., Young, B.B., Chuang, D.T.
Deposit date:2011-04-22
Release date:2011-05-04
Last modified:2011-07-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Thermodynamic Basis for Weak Interactions between Dihydrolipoamide Dehydrogenase and Subunit-binding Domain of the Branched-chain {alpha}-Ketoacid Dehydrogenase Complex.
J.Biol.Chem., 286, 2011
3EXE
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CRYSTAL STRUCTURE OF THE PYRUVATE DEHYDROGENASE (E1P) COMPONENT OF HUMAN PYRUVATE DEHYDROGENASE COMPLEX
Descriptor:Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial, ...
Authors:Kato, M., Wynn, R.M., Chuang, J.L., Tso, S.-C., Machius, M., Li, J., Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3EXF
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CRYSTAL STRUCTURE OF THE PYRUVATE DEHYDROGENASE (E1P) COMPONENT OF HUMAN PYRUVATE DEHYDROGENASE COMPLEX
Descriptor:Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial, ...
Authors:Kato, M., Wynn, R.M., Chuang, J.L., Tso, S.-C., Machius, M., Li, J., Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3EXG
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CRYSTAL STRUCTURE OF THE PYRUVATE DEHYDROGENASE (E1P) COMPONENT OF HUMAN PYRUVATE DEHYDROGENASE COMPLEX
Descriptor:Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial, ...
Authors:Kato, M., Wynn, R.M., Chuang, J.L., Tso, S.-C., Machius, M., Li, J., Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3EXH
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CRYSTAL STRUCTURE OF THE PYRUVATE DEHYDROGENASE (E1P) COMPONENT OF HUMAN PYRUVATE DEHYDROGENASE COMPLEX
Descriptor:Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial, ...
Authors:Kato, M., Wynn, R.M., Chuang, J.L., Tso, S.-C., Machius, M., Li, J., Chuang, D.T.
Deposit date:2008-10-16
Release date:2008-11-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
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