8F5F
 
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic 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 (3.149 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
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8F5J
 | | 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
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8F5S
 | | 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
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8F4Q
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2ZDY
 | | 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
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2ZDX
 | | 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
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2ZBK
 | | 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
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2ZKJ
 | | 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
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7EAT
 | | 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
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7EBG
 | | 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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7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, 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 (1.9 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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7EA0
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-05 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 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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7EBH
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | | 分子名称: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE 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 (1.96 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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7EAS
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | | 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 (1.97 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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4DZY
 | | 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
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7RZW
 | | CryoEM structure of Arabidopsis thaliana phytochrome B | | 分子名称: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B | | 著者 | Li, H, Burgie, E.S, Vierstra, R.D, Li, H. | | 登録日 | 2021-08-27 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-04-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Plant phytochrome B is an asymmetric dimer with unique signalling potential.
Nature, 604, 2022
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7N0E
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5UHT
 | | Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Liu, Y, Rose, J, Jiang, L, Zhou, P. | | 登録日 | 2017-01-12 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
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6GAV
 | | Extremely 'open' clamp structure of DNA gyrase: role of the Corynebacteriales GyrB specific insert | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B,DNA gyrase subunit A | | 著者 | Petrella, S, Capton, E, Alzari, P.M, Aubry, A, MAyer, C. | | 登録日 | 2018-04-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Overall Structures of Mycobacterium tuberculosis DNA Gyrase Reveal the Role of a Corynebacteriales GyrB-Specific Insert in ATPase Activity.
Structure, 27, 2019
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6GAU
 | | Extremely 'open' clamp structure of DNA gyrase: role of the Corynebacteriales GyrB specific insert | | 分子名称: | DNA gyrase subunit B,DNA gyrase subunit A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Petrella, S, Capton, E, Alzari, P.M, Aubry, A, Mayer, C. | | 登録日 | 2018-04-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Overall Structures of Mycobacterium tuberculosis DNA Gyrase Reveal the Role of a Corynebacteriales GyrB-Specific Insert in ATPase Activity.
Structure, 27, 2019
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3LPS
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3LNU
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3JA6
 | | Cryo-electron Tomography and All-atom Molecular Dynamics Simulations Reveal a Novel Kinase Conformational Switch in Bacterial Chemotaxis Signaling | | 分子名称: | Chemotaxis protein CheA, Chemotaxis protein CheW, Methyl-accepting chemotaxis protein 2 | | 著者 | Cassidy, C.K, Himes, B.A, Alvarez, F.J, Ma, J, Zhao, G, Perilla, J.R, Schulten, K, Zhang, P. | | 登録日 | 2015-04-21 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (12.7 Å) | | 主引用文献 | CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling.
Elife, 4, 2015
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1ZXM
 | | Human Topo IIa ATPase/AMP-PNP | | 分子名称: | DNA topoisomerase II, alpha isozyme, MAGNESIUM ION, ... | | 著者 | Wei, H, Ruthenburg, A.J, Bechis, S.K, Verdine, G.L. | | 登録日 | 2005-06-08 | | 公開日 | 2005-08-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Nucleotide-dependent Domain Movement in the ATPase Domain of a Human Type IIA DNA Topoisomerase.
J.Biol.Chem., 280, 2005
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3JZ3
 | | Structure of the cytoplasmic segment of histidine kinase QseC | | 分子名称: | SULFATE ION, Sensor protein qseC | | 著者 | Xie, W, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | 登録日 | 2009-09-22 | | 公開日 | 2010-07-21 | | 最終更新日 | 2012-04-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of the Cytoplasmic Segment of Histidine Kinase Receptor QseC, a Key Player in Bacterial Virulence.
Protein Pept.Lett., 17, 2010
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