5AIV
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![BU of 5aiv by Molmil](/molmil-images/mine/5aiv) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-17 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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5AIX
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![BU of 5aix by Molmil](/molmil-images/mine/5aix) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-18 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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5AIS
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![BU of 5ais by Molmil](/molmil-images/mine/5ais) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | 分子名称: | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | 著者 | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | 登録日 | 2015-02-17 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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2XYA
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![BU of 2xya by Molmil](/molmil-images/mine/2xya) | Non-covalent inhibtors of rhinovirus 3C protease. | 分子名称: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | 著者 | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | 登録日 | 2010-11-16 | 公開日 | 2011-04-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Non-Covalent Inhibitors of Rhinovirus 3C Protease. Bioorg.Med.Chem.Lett., 21, 2011
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4TYH
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![BU of 4tyh by Molmil](/molmil-images/mine/4tyh) | Ternary complex of P38 and MK2 with a P38 inhibitor | 分子名称: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | 著者 | Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. | 登録日 | 2014-07-08 | 公開日 | 2015-07-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors To Be Published
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8QFZ
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![BU of 8qfz by Molmil](/molmil-images/mine/8qfz) | TSLP-Bicycle complex | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | 著者 | Petersen, J. | 登録日 | 2023-09-05 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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8R4Q
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![BU of 8r4q by Molmil](/molmil-images/mine/8r4q) | Salt inducible kinase 3 in complex with inhibitor | 分子名称: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2023-11-14 | 公開日 | 2024-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.838 Å) | 主引用文献 | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
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8R4U
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![BU of 8r4u by Molmil](/molmil-images/mine/8r4u) | Structure of salt-inducible kinase 3 with inhibitors | 分子名称: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2023-11-14 | 公開日 | 2024-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.416 Å) | 主引用文献 | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
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8R4O
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![BU of 8r4o by Molmil](/molmil-images/mine/8r4o) | Salt inducible kinase 3 in complex with inhibitor | 分子名称: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2023-11-14 | 公開日 | 2024-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.725 Å) | 主引用文献 | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
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8R4V
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![BU of 8r4v by Molmil](/molmil-images/mine/8r4v) | Structure of Salt-inducible kinase 3 in complex with inhibitor | 分子名称: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea, Serine/threonine-protein kinase SIK3 | 著者 | Kack, H, Oster, L. | 登録日 | 2023-11-14 | 公開日 | 2024-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity. J.Biol.Chem., 300, 2024
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7B7R
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![BU of 7b7r by Molmil](/molmil-images/mine/7b7r) | MEK1 in complex with compound 4 | 分子名称: | 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2020-12-11 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
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7B3M
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![BU of 7b3m by Molmil](/molmil-images/mine/7b3m) | MEK1 in complex with compound 6 | 分子名称: | 1~{H}-indol-2-yl(pyridin-3-yl)methanone, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2020-12-01 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
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7B9L
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![BU of 7b9l by Molmil](/molmil-images/mine/7b9l) | MEK1 in complex with compound 23 | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2020-12-14 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
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7B94
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![BU of 7b94 by Molmil](/molmil-images/mine/7b94) | MEK1 in complex with compound 6 | 分子名称: | 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Kack, H, Oster, L. | 登録日 | 2020-12-14 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
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