2BEU
 
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-11-30 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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2BEW
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-11-30 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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2BFC
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-12-06 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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2BFE
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-12-06 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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2BFB
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-12-06 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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2BFD
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-12-06 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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2BFF
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-12-06 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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3TZ5
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex with ADP | | Descriptor: | 4-PHENYL-BUTANOIC 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: | 2011-09-27 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 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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3TZ2
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex | | Descriptor: | 4-PHENYL-BUTANOIC ACID, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | | 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: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 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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3TZ0
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex | | Descriptor: | (2S)-2-chloro-4-methylpentanoic acid, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | | 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: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 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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3VAD
 | | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid | | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 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: | 2024-02-28 | | 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
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3TZ4
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex with ADP | | Descriptor: | (2S)-2-chloro-4-methylpentanoic 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: | 2011-09-27 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 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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4MPN
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10 | | Descriptor: | 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | 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: | 2024-02-28 | | 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
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1ZMC
 | | Crystal Structure of Human dihydrolipoamide dehydrogenase complexed to NAD+ | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Brautigam, C.A, Chuang, J.L, Tomchick, D.R, Machius, M, Chuang, D.T. | | Deposit date: | 2005-05-10 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal Structure of Human Dihydrolipoamide Dehydrogenase: NAD(+)/NADH Binding and the Structural Basis of Disease-causing Mutations
J.Mol.Biol., 350, 2005
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4MP2
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 | | Descriptor: | (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | 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: | 2024-02-28 | | 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
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1Y8P
 | | Crystal structure of the PDK3-L2 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, ... | | Authors: | Kato, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2004-12-13 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Crystal structure of pyruvate dehydrogenase kinase 3 bound to lipoyl domain 2 of human pyruvate dehydrogenase complex.
Embo J., 24, 2005
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4MPE
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8 | | Descriptor: | 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | 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: | 2024-02-28 | | 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
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1Y8N
 | | Crystal structure of the PDK3-L2 complex | | Descriptor: | DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, POTASSIUM ION, ... | | Authors: | Kato, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2004-12-13 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of pyruvate dehydrogenase kinase 3 bound to lipoyl domain 2 of human pyruvate dehydrogenase complex.
Embo J., 24, 2005
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4MPC
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | | Descriptor: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | 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: | 2024-02-28 | | 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
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1Y8O
 | | Crystal structure of the PDK3-L2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, ... | | Authors: | Kato, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2004-12-13 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure of pyruvate dehydrogenase kinase 3 bound to lipoyl domain 2 of human pyruvate dehydrogenase complex.
Embo J., 24, 2005
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1ZMD
 | | Crystal Structure of Human dihydrolipoamide dehydrogenase complexed to NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Brautigam, C.A, Chuang, J.L, Tomchick, D.R, Machius, M, Chuang, D.T. | | Deposit date: | 2005-05-10 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal Structure of Human Dihydrolipoamide Dehydrogenase: NAD+/NADH Binding and the Structural Basis of Disease-causing Mutations
J.Mol.Biol., 350, 2005
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4MP7
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... | | 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: | 2024-02-28 | | 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
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1ZWV
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