5RB4
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![BU of 5rb4 by Molmil](/molmil-images/mine/5rb4) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001677a | 分子名称: | 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAH
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![BU of 5rah by Molmil](/molmil-images/mine/5rah) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010032a | 分子名称: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAZ
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![BU of 5raz by Molmil](/molmil-images/mine/5raz) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010013a | 分子名称: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAC
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![BU of 5rac by Molmil](/molmil-images/mine/5rac) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001810a | 分子名称: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAR
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![BU of 5rar by Molmil](/molmil-images/mine/5rar) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with TD000005c | 分子名称: | 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAD
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![BU of 5rad by Molmil](/molmil-images/mine/5rad) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001568a | 分子名称: | 2-[cyclohexyl(methylsulfonyl)amino]ethanamide, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAY
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![BU of 5ray by Molmil](/molmil-images/mine/5ray) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001469a | 分子名称: | 2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAA
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![BU of 5raa by Molmil](/molmil-images/mine/5raa) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM009990a | 分子名称: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAQ
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![BU of 5raq by Molmil](/molmil-images/mine/5raq) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001577a | 分子名称: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RB7
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![BU of 5rb7 by Molmil](/molmil-images/mine/5rb7) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001648a | 分子名称: | (1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAF
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![BU of 5raf by Molmil](/molmil-images/mine/5raf) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001559a | 分子名称: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione, CHLORIDE ION, Lysine-specific demethylase 3B, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5RAU
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![BU of 5rau by Molmil](/molmil-images/mine/5rau) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with DA000165b | 分子名称: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5A7W
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![BU of 5a7w by Molmil](/molmil-images/mine/5a7w) | Crystal structure of human JMJD2A in complex with compound 35 | 分子名称: | 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-10 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7S
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![BU of 5a7s by Molmil](/molmil-images/mine/5a7s) | Crystal structure of human JMJD2A in complex with compound 44 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7N
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![BU of 5a7n by Molmil](/molmil-images/mine/5a7n) | Crystal structure of human JMJD2A in complex with compound 43 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7Q
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![BU of 5a7q by Molmil](/molmil-images/mine/5a7q) | Crystal structure of human JMJD2A in complex with compound 30 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | 著者 | Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Dixon-Clarke, S, MacKenzie, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5A7O
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![BU of 5a7o by Molmil](/molmil-images/mine/5a7o) | Crystal structure of human JMJD2A in complex with compound 42 | 分子名称: | 1,2-ETHANEDIOL, 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5FY8
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![BU of 5fy8 by Molmil](/molmil-images/mine/5fy8) | Crystal structure of human JMJD2A in complex with D-threo-isocitrate | 分子名称: | 1,2-ETHANEDIOL, 3-carboxy-2,3-dideoxy-D-erythro-pentaric acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2016-03-04 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | 主引用文献 | Crystal Structure of Human Jmjd2A in Complex with D-Threo-Isocitrate To be Published
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5FYI
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![BU of 5fyi by Molmil](/molmil-images/mine/5fyi) | Crystal structure of human JMJD2A in complex with pyruvate | 分子名称: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2016-03-07 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | 主引用文献 | Crystal Structure of Human Jmjd2A in Complex with Pyruvate To be Published
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5FYH
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![BU of 5fyh by Molmil](/molmil-images/mine/5fyh) | Crystal structure of human JMJD2A in complex with fumarate | 分子名称: | 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | 著者 | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2016-03-07 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.348 Å) | 主引用文献 | Crystal Structure of Human Jmjd2A in Complex with Fumarate To be Published
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5FYC
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![BU of 5fyc by Molmil](/molmil-images/mine/5fyc) | Crystal structure of human JMJD2A in complex with succinate | 分子名称: | 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | 著者 | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | 登録日 | 2016-03-07 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.261 Å) | 主引用文献 | Crystal Structure of Human Jmjd2A in Complex with Succinate To be Published
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2Y6D
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![BU of 2y6d by Molmil](/molmil-images/mine/2y6d) | The Discovery of MMP7 Inhibitors Exploiting a Novel Selectivity Trigger | 分子名称: | CALCIUM ION, MATRILYSIN, N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE, ... | 著者 | Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L. | 登録日 | 2011-01-20 | 公開日 | 2011-05-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger. Chemmedchem, 6, 2011
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2Y6C
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![BU of 2y6c by Molmil](/molmil-images/mine/2y6c) | The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger | 分子名称: | CALCIUM ION, MATRILYSIN, N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN, ... | 著者 | Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L. | 登録日 | 2011-01-20 | 公開日 | 2011-05-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger. Chemmedchem, 6, 2011
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5LW9
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![BU of 5lw9 by Molmil](/molmil-images/mine/5lw9) | Crystal structure of human JARID1B in complex with S40563a | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of human JARID1B in complex with S40563a to be published
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5LWB
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![BU of 5lwb by Molmil](/molmil-images/mine/5lwb) | Crystal structure of human JARID1B in complex with S40650a | 分子名称: | 1,2-ETHANEDIOL, 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | 登録日 | 2016-09-15 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Crystal structure of human JARID1B in complex with S40650a to be published
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