5IDM
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![BU of 5idm by Molmil](/molmil-images/mine/5idm) | Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+ | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cell cycle histidine kinase CckA, MAGNESIUM ION, ... | 著者 | Dubey, B.N, Schirmer, T. | 登録日 | 2016-02-24 | 公開日 | 2016-10-05 | 最終更新日 | 2022-09-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking. Sci Adv, 2, 2016
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5IUJ
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![BU of 5iuj by Molmil](/molmil-images/mine/5iuj) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with low Mg2+ (20 mM) | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | 著者 | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | 登録日 | 2016-03-18 | 公開日 | 2016-12-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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5IUK
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![BU of 5iuk by Molmil](/molmil-images/mine/5iuk) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | 著者 | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | 登録日 | 2016-03-18 | 公開日 | 2016-12-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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5IUL
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![BU of 5iul by Molmil](/molmil-images/mine/5iul) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3 | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | 著者 | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | 登録日 | 2016-03-18 | 公開日 | 2016-12-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.153 Å) | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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5IUM
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![BU of 5ium by Molmil](/molmil-images/mine/5ium) | Crystal structure of phosphorylated DesKC | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Trajtenberg, F, Buschiazzo, A. | 登録日 | 2016-03-18 | 公開日 | 2016-12-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.162 Å) | 主引用文献 | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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5J5P
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![BU of 5j5p by Molmil](/molmil-images/mine/5j5p) | AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type I | 分子名称: | DNA (5'-D(*GP*CP*GP*CP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ... | 著者 | Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R. | 登録日 | 2016-04-03 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase. Nat Commun, 9, 2018
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5J5Q
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![BU of 5j5q by Molmil](/molmil-images/mine/5j5q) | AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type II | 分子名称: | DNA (5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ... | 著者 | Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R. | 登録日 | 2016-04-03 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase. Nat Commun, 9, 2018
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5J6A
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![BU of 5j6a by Molmil](/molmil-images/mine/5j6a) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | 分子名称: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 著者 | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | 登録日 | 2016-04-04 | 公開日 | 2017-01-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.045 Å) | 主引用文献 | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
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5J71
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![BU of 5j71 by Molmil](/molmil-images/mine/5j71) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | 分子名称: | 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | 著者 | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | 登録日 | 2016-04-05 | 公開日 | 2017-01-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
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5L3J
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![BU of 5l3j by Molmil](/molmil-images/mine/5l3j) | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | 分子名称: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | 著者 | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | 登録日 | 2016-05-23 | 公開日 | 2016-08-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors. J.Med.Chem., 59, 2016
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5LFK
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![BU of 5lfk by Molmil](/molmil-images/mine/5lfk) | |
5M4K
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![BU of 5m4k by Molmil](/molmil-images/mine/5m4k) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | 著者 | Baker, L.M, Brough, P, Surgenor, A. | 登録日 | 2016-10-18 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4M
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![BU of 5m4m by Molmil](/molmil-images/mine/5m4m) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | 分子名称: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | 著者 | Baker, L.M, Brough, P, Surgenor, A. | 登録日 | 2016-10-18 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4N
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![BU of 5m4n by Molmil](/molmil-images/mine/5m4n) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | 分子名称: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone, ... | 著者 | Baker, L.M, Brough, P, Surgenor, A. | 登録日 | 2016-10-18 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4P
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![BU of 5m4p by Molmil](/molmil-images/mine/5m4p) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | 分子名称: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | 著者 | Baker, L.M, Brough, P, Surgenor, A. | 登録日 | 2016-10-18 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5MMN
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![BU of 5mmn by Molmil](/molmil-images/mine/5mmn) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea | 分子名称: | 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | 登録日 | 2016-12-12 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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5MMO
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![BU of 5mmo by Molmil](/molmil-images/mine/5mmo) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester | 分子名称: | DNA gyrase subunit B, PHOSPHATE ION, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | 登録日 | 2016-12-12 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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5MMP
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![BU of 5mmp by Molmil](/molmil-images/mine/5mmp) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | 分子名称: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | 登録日 | 2016-12-12 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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5UHT
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![BU of 5uht by Molmil](/molmil-images/mine/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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5Z4H
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![BU of 5z4h by Molmil](/molmil-images/mine/5z4h) | |
5Z4O
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![BU of 5z4o by Molmil](/molmil-images/mine/5z4o) | |
5Z9B
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![BU of 5z9b by Molmil](/molmil-images/mine/5z9b) | Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine | 分子名称: | (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | 著者 | Huang, X, Zhou, H. | 登録日 | 2018-02-02 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9E
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![BU of 5z9e by Molmil](/molmil-images/mine/5z9e) | |
5Z9F
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![BU of 5z9f by Molmil](/molmil-images/mine/5z9f) | |
5Z9L
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![BU of 5z9l by Molmil](/molmil-images/mine/5z9l) | |