7UIS
 
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7UJX
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wych, D.C, Aoto, P.C, Wall, M.E. | | 登録日 | 2022-03-31 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7V0G
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wych, D.C, Aoto, P.C, Wall, M.E. | | 登録日 | 2022-05-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7UOS
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7WJ6
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7WJ7
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7UP7
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | | 分子名称: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Abendroth, J, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UKZ
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7VDU
 | | The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 | | 分子名称: | Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol | | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | 登録日 | 2021-09-07 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7UJS
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | | 著者 | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | | 登録日 | 2022-03-31 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJR
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | | 分子名称: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | | 著者 | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | | 登録日 | 2022-03-31 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJQ
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | | 分子名称: | Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ... | | 著者 | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | | 登録日 | 2022-03-31 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJT
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ... | | 著者 | Ozden, C, Stratton, M.M, Garman, S.C. | | 登録日 | 2022-03-31 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJP
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | | 著者 | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | | 登録日 | 2022-03-31 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UP6
 | | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | | 分子名称: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Abendroth, J, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP4
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | | 分子名称: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Abendroth, J, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UP8
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7UP5
 | | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal) | | 分子名称: | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5 | | 著者 | Yano, J.K, Edwards, T.E, Hall, A. | | 登録日 | 2022-04-14 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
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7UPM
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7VSY
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7UXI
 | | Structure of CDK2 in complex with FP19711, a Helicon Polypeptide | | 分子名称: | AMINO GROUP, Cyclin-dependent kinase 2, FP19711, ... | | 著者 | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | | 登録日 | 2022-05-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7UXK
 | | Structure of CDK2 in complex with FP24322, a Helicon Polypeptide | | 分子名称: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, FP24322, ... | | 著者 | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J. | | 登録日 | 2022-05-05 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSV
 | | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | | 分子名称: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | | 著者 | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | | 登録日 | 2022-05-15 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
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7X4H
 | | Crystal structure of CK2a1 complexed with AG1112 | | 分子名称: | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein Kinase 2 subunit alpha | | 著者 | Ikeda, A, Kinoshita, T, Tsuyuguchi, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
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1CM8
 | | PHOSPHORYLATED MAP KINASE P38-GAMMA | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORYLATED MAP KINASE P38-GAMMA | | 著者 | Bellon, S, Fitzgibbon, M.J, Fox, T, Hsiao, H.M, Wilson, K.P. | | 登録日 | 1999-05-17 | | 公開日 | 2000-05-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The structure of phosphorylated p38gamma is monomeric and reveals a conserved activation-loop conformation.
Structure Fold.Des., 7, 1999
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