6H4O
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![BU of 6h4o by Molmil](/molmil-images/mine/6h4o) | Crystal structure of human KDM4A in complex with compound 18a | 分子名称: | 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H50
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![BU of 6h50 by Molmil](/molmil-images/mine/6h50) | Crystal structure of human KDM5B in complex with compound 34a | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4P
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![BU of 6h4p by Molmil](/molmil-images/mine/6h4p) | Crystal structure of human KDM4A in complex with compound 16a | 分子名称: | 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4Y
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![BU of 6h4y by Molmil](/molmil-images/mine/6h4y) | Crystal structure of human KDM4A in complex with compound 17e | 分子名称: | 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4R
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![BU of 6h4r by Molmil](/molmil-images/mine/6h4r) | Crystal structure of human KDM4A in complex with compound 17f | 分子名称: | 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4Z
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![BU of 6h4z by Molmil](/molmil-images/mine/6h4z) | Crystal structure of human KDM5B in complex with compound 16a | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4V
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![BU of 6h4v by Molmil](/molmil-images/mine/6h4v) | Crystal structure of human KDM4A in complex with compound 34g | 分子名称: | 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H1H
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![BU of 6h1h by Molmil](/molmil-images/mine/6h1h) | Crystal structure of human Pirin in complex with compound 7 (PLX4720) | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GLYCEROL, ... | 著者 | Ali, S, Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-11 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Privileged Structures and Polypharmacology within and between Protein Families. ACS Med Chem Lett, 9, 2018
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6H4T
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![BU of 6h4t by Molmil](/molmil-images/mine/6h4t) | Crystal structure of human KDM4A in complex with compound 19a | 分子名称: | 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4Q
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![BU of 6h4q by Molmil](/molmil-images/mine/6h4q) | Crystal structure of human KDM4A in complex with compound 34a | 分子名称: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H52
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![BU of 6h52 by Molmil](/molmil-images/mine/6h52) | Crystal structure of human KDM5B in complex with compound 34g | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H1I
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![BU of 6h1i by Molmil](/molmil-images/mine/6h1i) | Crystal structure of human Pirin in complex with bisamide compound 2 | 分子名称: | FE (III) ION, GLYCEROL, Pirin, ... | 著者 | Ali, S, Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-11 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Privileged Structures and Polypharmacology within and between Protein Families. ACS Med Chem Lett, 9, 2018
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6H4W
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![BU of 6h4w by Molmil](/molmil-images/mine/6h4w) | Crystal structure of human KDM4A in complex with compound 19d | 分子名称: | 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4U
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![BU of 6h4u by Molmil](/molmil-images/mine/6h4u) | Crystal structure of human KDM4A in complex with compound 34b | 分子名称: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4X
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![BU of 6h4x by Molmil](/molmil-images/mine/6h4x) | Crystal structure of human KDM4A in complex with compound 17b | 分子名称: | 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4S
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![BU of 6h4s by Molmil](/molmil-images/mine/6h4s) | Crystal structure of human KDM4A in complex with compound 16m | 分子名称: | 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H51
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![BU of 6h51 by Molmil](/molmil-images/mine/6h51) | Crystal structure of human KDM5B in complex with compound 34f | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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5F3E
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![BU of 5f3e by Molmil](/molmil-images/mine/5f3e) | Crystal structure of human KDM4A in complex with compound 54a | 分子名称: | 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F37
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![BU of 5f37 by Molmil](/molmil-images/mine/5f37) | Crystal structure of human KDM4A in complex with compound 58 | 分子名称: | 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F2W
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![BU of 5f2w by Molmil](/molmil-images/mine/5f2w) | Crystal structure of human KDM4A in complex with compound 16 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F5A
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![BU of 5f5a by Molmil](/molmil-images/mine/5f5a) | Crystal Structure of human JMJD2D complexed with KDOAM16 | 分子名称: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F39
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![BU of 5f39 by Molmil](/molmil-images/mine/5f39) | Crystal structure of human KDM4A in complex with compound 37 | 分子名称: | 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F32
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![BU of 5f32 by Molmil](/molmil-images/mine/5f32) | Crystal structure of human KDM4A in complex with compound 40 | 分子名称: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F2S
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![BU of 5f2s by Molmil](/molmil-images/mine/5f2s) | Crystal structure of human KDM4A in complex with compound 15 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F3C
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![BU of 5f3c by Molmil](/molmil-images/mine/5f3c) | Crystal structure of human KDM4A in complex with compound 52d | 分子名称: | 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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