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PDB: 442 件
8F5J
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human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
分子名称: 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
登録日2022-11-14
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8F5S
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BU of 8f5s by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
分子名称: (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
登録日2022-11-15
公開日2023-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
8F4Q
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rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors
分子名称: 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Liu, S.
登録日2022-11-11
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Discovery of branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors acting as stabilizers or destabilizers
To Be Published
4MPN
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BU of 4mpn by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10
分子名称: 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-13
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MP2
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BU of 4mp2 by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1
分子名称: (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPE
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BU of 4mpe by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8
分子名称: 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPC
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BU of 4mpc by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2
分子名称: 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MP7
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BU of 4mp7 by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7
分子名称: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4R39
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BU of 4r39 by Molmil
Histidine kinase domain from Erythrobacter litoralis EL346 blue-light activated histidine kinase
分子名称: Blue-light-activated histidine kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Tomchick, D.R, Rivera-Cancel, G, Gardner, K.H.
登録日2014-08-14
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Full-length structure of a monomeric histidine kinase reveals basis for sensory regulation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4XIV
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BU of 4xiv by Molmil
Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chemotaxis protein CheA, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Greenswag, A.R, Crane, B.R.
登録日2015-01-07
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformational Transitions that Enable Histidine Kinase Autophosphorylation and Receptor Array Integration.
J.Mol.Biol., 427, 2015
3D2R
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BU of 3d2r by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Kato, M, Wynn, R.M, Chuang, L.C, Tso, S.-C, Li, J, Chuang, D.T.
登録日2008-05-08
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 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
6SWJ
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BU of 6swj by Molmil
The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus (with Pt)
分子名称: Histidine kinase, PLATINUM (II) ION
著者Lansky, S, Shiradski, M, Lavid, N, Shoham, Y, Shoham, G.
登録日2019-09-22
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus (with Pt)
To Be Published
3EHJ
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BU of 3ehj by Molmil
Crystal structure of DesKC-H188V in complex with AMP-PCP
分子名称: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor kinase (YocF protein)
著者Albanesi, D, Alzari, P.M, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZDY
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BU of 2zdy by Molmil
Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Kawamoto, M, Shiromizu, I, Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S.
登録日2007-12-01
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
2ZBK
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BU of 2zbk by Molmil
Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms
分子名称: RADICICOL, Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A
著者Graille, M, Cladiere, L, Durand, D, Lecointe, F, Forterre, P, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG)
登録日2007-10-22
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms
Structure, 16, 2008
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
2ZDX
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BU of 2zdx by Molmil
Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4
分子名称: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Pyruvate dehydrogenase kinase isozyme 4
著者Kawamoto, M, Shiromizu, I, Kukimoto-niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S.
登録日2007-11-30
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
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
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
4H81
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BU of 4h81 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-2-chloro-3-phenylpropanoic acid complex with ADP
分子名称: (2R)-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2012-09-21
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 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
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
7EAT
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BU of 7eat by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1
分子名称: 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ...
著者Orita, T, Doi, S, Iwanaga, T, Adachi, T.
登録日2021-03-08
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
7EBG
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BU of 7ebg by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7
分子名称: 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Orita, T, Doi, S, Iwanaga, T, Adachi, T.
登録日2021-03-09
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021

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