6C83
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![BU of 6c83 by Molmil](/molmil-images/mine/6c83) | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | 分子名称: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | 登録日 | 2018-01-24 | 公開日 | 2019-02-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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4UEU
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![BU of 4ueu by Molmil](/molmil-images/mine/4ueu) | Tyrosine kinase AS - a common ancestor of Src and Abl | 分子名称: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | 著者 | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | 登録日 | 2014-12-18 | 公開日 | 2015-02-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism. Science, 347, 2015
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4CSV
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![BU of 4csv by Molmil](/molmil-images/mine/4csv) | Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR | 著者 | Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D. | 登録日 | 2014-03-10 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism. Science, 347, 2015
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8FWI
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![BU of 8fwi by Molmil](/molmil-images/mine/8fwi) | Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ... | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2023-01-22 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8FWJ
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![BU of 8fwj by Molmil](/molmil-images/mine/8fwj) | Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2023-01-22 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8DB3
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![BU of 8db3 by Molmil](/molmil-images/mine/8db3) | Crystal structure of KaiC with truncated C-terminal coiled-coil domain | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2022-06-14 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8DBA
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![BU of 8dba by Molmil](/molmil-images/mine/8dba) | Crystal structure of dodecameric KaiC | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION | 著者 | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | 登録日 | 2022-06-14 | 公開日 | 2023-03-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | From primordial clocks to circadian oscillators. Nature, 616, 2023
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7LTY
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![BU of 7lty by Molmil](/molmil-images/mine/7lty) | Bruton's tyrosine kinase in complex with compound 23 | 分子名称: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-02-20 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 65, 2022
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7LTZ
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![BU of 7ltz by Molmil](/molmil-images/mine/7ltz) | Bruton's tyrosine kinase in complex with compound 51 | 分子名称: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-02-20 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 65, 2022
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8TU3
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![BU of 8tu3 by Molmil](/molmil-images/mine/8tu3) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | 分子名称: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M. | 登録日 | 2023-08-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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8TU4
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![BU of 8tu4 by Molmil](/molmil-images/mine/8tu4) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | 分子名称: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M. | 登録日 | 2023-08-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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8TU5
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![BU of 8tu5 by Molmil](/molmil-images/mine/8tu5) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | 分子名称: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M. | 登録日 | 2023-08-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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5G15
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![BU of 5g15 by Molmil](/molmil-images/mine/5g15) | Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP | 分子名称: | AURORA A KINASE, MAGNESIUM ION, MB1 MONOBODY, ... | 著者 | Zorba, A, Kutter, S, Kern, D, Koide, S, Koide, A. | 登録日 | 2016-03-23 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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5G3Y
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![BU of 5g3y by Molmil](/molmil-images/mine/5g3y) | Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION | 著者 | Nguyen, V, Kutter, S, English, J, Kern, D. | 登録日 | 2016-05-03 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Evolutionary drivers of thermoadaptation in enzyme catalysis. Science, 355, 2017
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5G41
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![BU of 5g41 by Molmil](/molmil-images/mine/5g41) | Crystal structure of adenylate kinase ancestor 4 with Zn, Mg and Ap5A bound | 分子名称: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | 著者 | Nguyen, V, Kutter, S, English, J, Kern, D. | 登録日 | 2016-05-03 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Evolutionary drivers of thermoadaptation in enzyme catalysis. Science, 355, 2017
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5G40
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![BU of 5g40 by Molmil](/molmil-images/mine/5g40) | Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound | 分子名称: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ... | 著者 | Nguyen, V, Kutter, S, English, J, Kern, D. | 登録日 | 2016-05-03 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Evolutionary drivers of thermoadaptation in enzyme catalysis. Science, 355, 2017
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5G3Z
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![BU of 5g3z by Molmil](/molmil-images/mine/5g3z) | Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound | 分子名称: | ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | 著者 | Nguyen, V, Kutter, S, English, J, Kern, D. | 登録日 | 2016-05-03 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Evolutionary drivers of thermoadaptation in enzyme catalysis. Science, 355, 2017
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