3EXF
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![BU of 3exf by Molmil](/molmil-images/mine/3exf) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ... | 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: | 2023-12-27 | 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
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3EXG
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![BU of 3exg by Molmil](/molmil-images/mine/3exg) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ... | 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: | 2023-12-27 | 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
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2II4
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![BU of 2ii4 by Molmil](/molmil-images/mine/2ii4) | Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Coenzyme A-bound form | Descriptor: | CHLORIDE ION, COENZYME A, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T. | Deposit date: | 2006-09-27 | Release date: | 2006-12-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex. Embo J., 25, 2006
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2II3
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![BU of 2ii3 by Molmil](/molmil-images/mine/2ii3) | Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Oxidized Coenzyme A-bound form | Descriptor: | ACETATE ION, CHLORIDE ION, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T. | Deposit date: | 2006-09-27 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex. Embo J., 25, 2006
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3RNM
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![BU of 3rnm by Molmil](/molmil-images/mine/3rnm) | The crystal structure of the subunit binding of human dihydrolipoamide transacylase (E2b) bound to human dihydrolipoamide dehydrogenase (E3) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-MERCAPTOETHANOL, Dihydrolipoyl dehydrogenase, ... | 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
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4DA1
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![BU of 4da1 by Molmil](/molmil-images/mine/4da1) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase phosphatase with Mg (II) ions at the active site | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Protein phosphatase 1K, ... | Authors: | Brautigam, C.A, Chuang, J.L, Chuang, D.T. | Deposit date: | 2012-01-12 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | 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
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4DZY
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![BU of 4dzy by Molmil](/molmil-images/mine/4dzy) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP | Descriptor: | (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 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: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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3D2R
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![BU of 3d2r by Molmil](/molmil-images/mine/3d2r) | Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kato, M, Wynn, R.M, Chuang, L.C, Tso, S.-C, Li, J, Chuang, D.T. | Deposit date: | 2008-05-08 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Pyruvate Dehydrogenase Kinase-4 Structures Reveal a Metastable Open Conformation Fostering Robust Core-free Basal Activity. J.Biol.Chem., 283, 2008
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1K8O
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![BU of 1k8o by Molmil](/molmil-images/mine/1k8o) | Solution Structure of the Lipoic Acid-Bearing Domain of the E2 component of Human, Mitochondrial Branched-Chain alpha-Ketoacid Dehydrogenase | Descriptor: | E2 component of Branched-Chain alpha-Ketoacid Dehydrogenase | Authors: | Chang, C.-F, Chou, H.-T, Chuang, J.L, Chuang, D.T, Huang, T.-h. | Deposit date: | 2001-10-24 | Release date: | 2001-11-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the lipoic acid-bearing domain of human mitochondrial branched-chain alpha-keto acid dehydrogenase complex J.Biol.Chem., 277, 2002
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1K8M
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![BU of 1k8m by Molmil](/molmil-images/mine/1k8m) | Solution Structure of the Lipoic Acid-Bearing Domain of the E2 component of Human, Mitochondrial Branched-Chain alpha-Ketoacid Dehydrogenase | Descriptor: | E2 component of Branched-Chain alpha-Ketoacid Dehydrogenase | Authors: | Chang, C.-F, Chou, H.-T, Chuang, J.L, Chuang, D.T, Huang, T.-h. | Deposit date: | 2001-10-24 | Release date: | 2001-11-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the lipoic acid-bearing domain of human mitochondrial branched-chain alpha-keto acid dehydrogenase complex J.Biol.Chem., 277, 2002
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3EXH
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![BU of 3exh by Molmil](/molmil-images/mine/3exh) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ... | 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: | 2023-12-27 | 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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3EXE
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![BU of 3exe by Molmil](/molmil-images/mine/3exe) | Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex | Descriptor: | GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ... | 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: | 2023-12-27 | 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
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3EXI
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![BU of 3exi by Molmil](/molmil-images/mine/3exi) | 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 | Descriptor: | CHLORIDE ION, POTASSIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ... | 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: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 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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1DTW
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![BU of 1dtw by Molmil](/molmil-images/mine/1dtw) | HUMAN BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE | Descriptor: | BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE ALPHA SUBUNIT, BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE BETA SUBUNIT, MAGNESIUM ION, ... | Authors: | AEvarsson, A, Chuang, J.L, Wynn, R.M, Turley, S, Chuang, D.T, Hol, W.G.J. | Deposit date: | 2000-01-13 | Release date: | 2000-03-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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1OLU
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![BU of 1olu by Molmil](/molmil-images/mine/1olu) | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2003-08-15 | Release date: | 2003-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site. J.Biol.Chem., 278, 2003
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1OLX
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![BU of 1olx by Molmil](/molmil-images/mine/1olx) | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2003-08-18 | Release date: | 2003-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site. J.Biol.Chem., 278, 2003
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1OLS
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![BU of 1ols by Molmil](/molmil-images/mine/1ols) | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2003-08-12 | Release date: | 2003-08-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site. J.Biol.Chem., 278, 2003
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2F60
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![BU of 2f60 by Molmil](/molmil-images/mine/2f60) | Crystal Structure of the Dihydrolipoamide Dehydrogenase (E3)-Binding Domain of Human E3-Binding Protein | Descriptor: | GLYCEROL, Pyruvate dehydrogenase protein X component | Authors: | Brautigam, C.A, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Machius, M, Chuang, D.T. | Deposit date: | 2005-11-28 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Insight into Interactions between Dihydrolipoamide Dehydrogenase (E3) and E3 Binding Protein of Human Pyruvate Dehydrogenase Complex. Structure, 14, 2006
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2F5Z
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![BU of 2f5z by Molmil](/molmil-images/mine/2f5z) | Crystal Structure of Human Dihydrolipoamide Dehydrogenase (E3) Complexed to the E3-Binding Domain of Human E3-Binding Protein | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, Pyruvate dehydrogenase protein X component, ... | Authors: | Brautigam, C.A, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Machius, M, Chuang, D.T. | Deposit date: | 2005-11-28 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural Insight into Interactions between Dihydrolipoamide Dehydrogenase (E3) and E3 Binding Protein of Human Pyruvate Dehydrogenase Complex. Structure, 14, 2006
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5J6A
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![BU of 5j6a by Molmil](/molmil-images/mine/5j6a) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | Descriptor: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 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: | 2023-09-27 | 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
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1GJV
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![BU of 1gjv by Molmil](/molmil-images/mine/1gjv) | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ATP-gamma-S | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Machius, M, Chuang, J.L, Wynn, M.R, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2001-08-03 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase. Proc.Natl.Acad.Sci.USA, 98, 2001
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1GKX
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![BU of 1gkx by Molmil](/molmil-images/mine/1gkx) | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) | Descriptor: | CHLORIDE ION, [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE]] KINASE | Authors: | Machius, M, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2001-08-21 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase. Proc.Natl.Acad.Sci.USA, 98, 2001
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1GKZ
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![BU of 1gkz by Molmil](/molmil-images/mine/1gkz) | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Machius, M, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2001-08-22 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase. Proc.Natl.Acad.Sci.USA, 98, 2001
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5J71
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![BU of 5j71 by Molmil](/molmil-images/mine/5j71) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | Descriptor: | 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, ... | 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: | 2023-09-27 | 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
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2Q8H
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![BU of 2q8h by Molmil](/molmil-images/mine/2q8h) | Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA) | Descriptor: | DICHLORO-ACETIC ACID, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1 | Authors: | Kato, M, Li, J, Chuang, J.L, Chuang, D.T. | Deposit date: | 2007-06-10 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol. Structure, 15, 2007
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