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1GKX
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BU of 1gkx by Molmil
Branched-chain alpha-ketoacid dehydrogenase kinase (BCK)
分子名称: CHLORIDE ION, [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE]] KINASE
著者Machius, M, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Chuang, D.T.
登録日2001-08-21
公開日2001-10-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase.
Proc.Natl.Acad.Sci.USA, 98, 2001
4H7Q
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BU of 4h7q by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with alpha-ketoisocaproic acid and ADP
分子名称: 2-OXO-4-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-09-20
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H85
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BU of 4h85 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-alpha-chloroisocaproate complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALPHA-CHLOROISOCAPROIC ACID, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-09-21
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3EXF
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BU of 3exf by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献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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BU of 3exg by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3EXE
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BU of 3exe by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3EXI
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BU of 3exi by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex with the subunit-binding domain (SBD) of E2p, but SBD cannot be modeled into the electron density
分子名称: CHLORIDE ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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BU of 3exh by Molmil
Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex
分子名称: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T.
登録日2008-10-16
公開日2008-11-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.444 Å)
主引用文献Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops.
Structure, 16, 2008
3TZ2
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BU of 3tz2 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex
分子名称: 4-PHENYL-BUTANOIC ACID, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-26
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TZ4
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BU of 3tz4 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex with ADP
分子名称: (2S)-2-chloro-4-methylpentanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-27
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
2Q8I
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BU of 2q8i by Molmil
Pyruvate dehydrogenase kinase isoform 3 in complex with antitumor drug radicicol
分子名称: DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, GLYCEROL, ...
著者Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
登録日2007-06-10
公開日2007-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
2Q8H
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BU of 2q8h by Molmil
Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA)
分子名称: DICHLORO-ACETIC ACID, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1
著者Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
登録日2007-06-10
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
3VAD
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BU of 3vad by Molmil
Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
分子名称: 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ahmed, K, Gui, W.J, Tso, S.C, Chuang, J.L, Wynn, R.M, Chuang, D.T.
登録日2011-12-29
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献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
2ZKJ
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BU of 2zkj by Molmil
Crystal structure of human PDK4-ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Li, J, Chuang, D.T.
登録日2008-03-25
公開日2008-08-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyruvate Dehydrogenase Kinase-4 Structures Reveal a Metastable Open Conformation Fostering Robust Core-free Basal Activity
J.Biol.Chem., 283, 2008
3TZ0
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BU of 3tz0 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex
分子名称: (2S)-2-chloro-4-methylpentanoic acid, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-26
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TZ5
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BU of 3tz5 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex with ADP
分子名称: 4-PHENYL-BUTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2011-09-27
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
2Q8F
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BU of 2q8f by Molmil
Structure of pyruvate dehydrogenase kinase isoform 1
分子名称: POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1
著者Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
登録日2007-06-10
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
2Q8G
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BU of 2q8g by Molmil
Structure of pyruvate dehydrogenase kinase isoform 1 in complex with glucose-lowering drug AZD7545
分子名称: 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1
著者Kato, M, Li, J, Chuang, J.L, Chuang, D.T.
登録日2007-06-10
公開日2007-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol.
Structure, 15, 2007
4DA1
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BU of 4da1 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase phosphatase with Mg (II) ions at the active site
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Protein phosphatase 1K, ...
著者Brautigam, C.A, Chuang, J.L, Chuang, D.T.
登録日2012-01-12
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.383 Å)
主引用文献Structural and biochemical characterization of human mitochondrial branched-chain alpha-ketoacid dehydrogenase phosphatase.
J.Biol.Chem., 287, 2012
1DTW
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BU of 1dtw by Molmil
HUMAN BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE
分子名称: BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE ALPHA SUBUNIT, BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE BETA SUBUNIT, MAGNESIUM ION, ...
著者AEvarsson, A, Chuang, J.L, Wynn, R.M, Turley, S, Chuang, D.T, Hol, W.G.J.
登録日2000-01-13
公開日2000-03-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human branched-chain alpha-ketoacid dehydrogenase and the molecular basis of multienzyme complex deficiency in maple syrup urine disease.
Structure Fold.Des., 8, 2000
4E02
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BU of 4e02 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP
分子名称: (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-03-02
公開日2013-03-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1547 Å)
主引用文献Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
To be Published
4DZY
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BU of 4dzy by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP
分子名称: (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-03-01
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4E01
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BU of 4e01 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP
分子名称: 3,6-dichloro-1-benzothiophene-2-carboxylic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-03-02
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
To be Published
4E00
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BU of 4e00 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP
分子名称: 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-03-01
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with ADP
To be Published
5J71
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BU of 5j71 by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35
分子名称: 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T.
登録日2016-04-05
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017

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