2HKJ
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3GIG
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![BU of 3gig by Molmil](/molmil-images/mine/3gig) | Crystal structure of phosphorylated DesKC in complex with AMP-PCP | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK | 著者 | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | 登録日 | 2009-03-05 | 公開日 | 2009-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.502 Å) | 主引用文献 | Structural plasticity and catalysis regulation of a thermosensor histidine kinase Proc.Natl.Acad.Sci.USA, 106, 2009
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3GIF
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![BU of 3gif by Molmil](/molmil-images/mine/3gif) | Crystal structure of DesKC_H188E in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor histidine kinase desK | 著者 | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | 登録日 | 2009-03-05 | 公開日 | 2009-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural plasticity and catalysis regulation of a thermosensor histidine kinase Proc.Natl.Acad.Sci.USA, 106, 2009
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3GIE
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![BU of 3gie by Molmil](/molmil-images/mine/3gie) | Crystal structure of DesKC_H188E in complex with AMP-PCP | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK | 著者 | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | 登録日 | 2009-03-05 | 公開日 | 2009-09-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural plasticity and catalysis regulation of a thermosensor histidine kinase Proc.Natl.Acad.Sci.USA, 106, 2009
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6SWK
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![BU of 6swk by Molmil](/molmil-images/mine/6swk) | The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus | 分子名称: | Histidine kinase | 著者 | Lansky, S, Shiradsky, M, Lavid, N, Shoham, Y, Shoham, G. | 登録日 | 2019-09-22 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.742 Å) | 主引用文献 | The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus To Be Published
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6TN0
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![BU of 6tn0 by Molmil](/molmil-images/mine/6tn0) | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6SWJ
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![BU of 6swj by Molmil](/molmil-images/mine/6swj) | 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
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6TMQ
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![BU of 6tmq by Molmil](/molmil-images/mine/6tmq) | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TMZ
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![BU of 6tmz by Molmil](/molmil-images/mine/6tmz) | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN2
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![BU of 6tn2 by Molmil](/molmil-images/mine/6tn2) | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.768 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TMP
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![BU of 6tmp by Molmil](/molmil-images/mine/6tmp) | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | 登録日 | 2019-12-05 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.076 Å) | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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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 | 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
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3VAD
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![BU of 3vad by Molmil](/molmil-images/mine/3vad) | 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
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3TZ0
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![BU of 3tz0 by Molmil](/molmil-images/mine/3tz0) | 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
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3EHJ
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3EHH
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3EHF
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3TZ4
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![BU of 3tz4 by Molmil](/molmil-images/mine/3tz4) | 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
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3TZ5
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![BU of 3tz5 by Molmil](/molmil-images/mine/3tz5) | 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
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3TZ2
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![BU of 3tz2 by Molmil](/molmil-images/mine/3tz2) | 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
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4MPE
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![BU of 4mpe by Molmil](/molmil-images/mine/4mpe) | 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
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4MP2
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![BU of 4mp2 by Molmil](/molmil-images/mine/4mp2) | 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
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1JM6
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![BU of 1jm6 by Molmil](/molmil-images/mine/1jm6) | Pyruvate dehydrogenase kinase, isozyme 2, containing ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyruvate dehydrogenase kinase, ... | 著者 | Steussy, C.N, Popov, K.M, Bowker-Kinley, M.M, Sloan, R.B, Harris, R.A, Hamilton, J.A. | 登録日 | 2001-07-17 | 公開日 | 2001-10-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of pyruvate dehydrogenase kinase. Novel folding pattern for a serine protein kinase. J.Biol.Chem., 276, 2001
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6LIN
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![BU of 6lin by Molmil](/molmil-images/mine/6lin) | Crystal structure of human PDK2 complexed with GM10030 | 分子名称: | 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Kang, J, Kim, J. | 登録日 | 2019-12-12 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds. Biochem.Biophys.Res.Commun., 527, 2020
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6LIO
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![BU of 6lio by Molmil](/molmil-images/mine/6lio) | Crystal structure of human PDK2 complexed with GM67520 | 分子名称: | 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid, GLYCEROL, SULFATE ION, ... | 著者 | Kang, J, Kim, J. | 登録日 | 2019-12-12 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds. Biochem.Biophys.Res.Commun., 527, 2020
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