2ZDY
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![BU of 2zdy by Molmil](/molmil-images/mine/2zdy) | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kawamoto, M, Shiromizu, I, Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S. | Deposit date: | 2007-12-01 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4. Acta Crystallogr.,Sect.D, 67, 2011
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8F4Q
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![BU of 8f4q by Molmil](/molmil-images/mine/8f4q) | rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Liu, S. | Deposit date: | 2022-11-11 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Discovery of branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors acting as stabilizers or destabilizers To Be Published
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1Z5B
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![BU of 1z5b by Molmil](/molmil-images/mine/1z5b) | |
4MPN
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![BU of 4mpn by Molmil](/molmil-images/mine/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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4XIV
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![BU of 4xiv by Molmil](/molmil-images/mine/4xiv) | |
4MP7
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![BU of 4mp7 by Molmil](/molmil-images/mine/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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2ZDX
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![BU of 2zdx by Molmil](/molmil-images/mine/2zdx) | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4 | Descriptor: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Pyruvate dehydrogenase kinase isozyme 4 | Authors: | Kawamoto, M, Shiromizu, I, Kukimoto-niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S. | Deposit date: | 2007-11-30 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4. Acta Crystallogr.,Sect.D, 67, 2011
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1Z5A
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![BU of 1z5a by Molmil](/molmil-images/mine/1z5a) | Topoisomerase VI-B, ADP-bound dimer form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type II DNA topoisomerase VI subunit B | Authors: | Corbett, K.D, Berger, J.M. | Deposit date: | 2005-03-17 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural dissection of ATP turnover in the prototypical GHL ATPase TopoVI. Structure, 13, 2005
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1Z59
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![BU of 1z59 by Molmil](/molmil-images/mine/1z59) | Topoisomerase VI-B, ADP-bound monomer form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type II DNA topoisomerase VI subunit B | Authors: | Corbett, K.D, Berger, J.M. | Deposit date: | 2005-03-17 | Release date: | 2005-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural dissection of ATP turnover in the prototypical GHL ATPase TopoVI. Structure, 13, 2005
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1Z5C
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![BU of 1z5c by Molmil](/molmil-images/mine/1z5c) | Topoisomerase VI-B, ADP Pi bound dimer form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Corbett, K.D, Berger, J.M. | Deposit date: | 2005-03-17 | Release date: | 2005-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural dissection of ATP turnover in the prototypical GHL ATPase TopoVI. Structure, 13, 2005
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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 | 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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2ZBK
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![BU of 2zbk by Molmil](/molmil-images/mine/2zbk) | Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms | Descriptor: | RADICICOL, Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A | Authors: | Graille, M, Cladiere, L, Durand, D, Lecointe, F, Forterre, P, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG) | Deposit date: | 2007-10-22 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.56 Å) | Cite: | Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms Structure, 16, 2008
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2ZKJ
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![BU of 2zkj by Molmil](/molmil-images/mine/2zkj) | Crystal structure of human PDK4-ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Li, J, Chuang, D.T. | Deposit date: | 2008-03-25 | Release date: | 2008-08-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 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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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 | 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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4MPC
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![BU of 4mpc by Molmil](/molmil-images/mine/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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3EHJ
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![BU of 3ehj by Molmil](/molmil-images/mine/3ehj) | |
3EHH
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![BU of 3ehh by Molmil](/molmil-images/mine/3ehh) | |
3EHF
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![BU of 3ehf by Molmil](/molmil-images/mine/3ehf) | |
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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3GIG
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![BU of 3gig by Molmil](/molmil-images/mine/3gig) | Crystal structure of phosphorylated DesKC in complex with AMP-PCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK | Authors: | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | Deposit date: | 2009-03-05 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.502 Å) | Cite: | 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 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor histidine kinase desK | Authors: | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | Deposit date: | 2009-03-05 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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 | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK | Authors: | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | Deposit date: | 2009-03-05 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 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 | Descriptor: | Histidine kinase | Authors: | Lansky, S, Shiradsky, M, Lavid, N, Shoham, Y, Shoham, G. | Deposit date: | 2019-09-22 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.742 Å) | Cite: | The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus To Be Published
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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) | Descriptor: | Histidine kinase, PLATINUM (II) ION | Authors: | Lansky, S, Shiradski, M, Lavid, N, Shoham, Y, Shoham, G. | Deposit date: | 2019-09-22 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus (with Pt) To Be Published
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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 | Descriptor: | 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, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.076 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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