3D7Z
 
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9H8S
 | | Human CDK8/Cyclin-C complex with inhibitor 3-7 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, CHLORIDE ION, ... | | 著者 | Somers, D.O. | | 登録日 | 2024-10-29 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-02-05 | | 実験手法 | X-RAY DIFFRACTION (2.157 Å) | | 主引用文献 | Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
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9H8C
 | | Human CDK8/Cyclin-C complex with inhibitor 2-9 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, Cyclin-C, ... | | 著者 | Somers, D.O. | | 登録日 | 2024-10-29 | | 公開日 | 2025-01-22 | | 最終更新日 | 2025-02-05 | | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | | 主引用文献 | Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
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6HM7
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6HM6
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3E93
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3E92
 | | Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | | 著者 | Somers, D.O, Patel, S. | | 登録日 | 2008-08-21 | | 公開日 | 2008-09-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
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2ZB0
 | | Crystal structure of P38 in complex with biphenyl amide inhibitor | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | | 著者 | Somers, D.O. | | 登録日 | 2007-10-13 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
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8Q6F
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8Q6G
 | | HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 8) | | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ... | | 著者 | Somers, D.O. | | 登録日 | 2023-08-11 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.541 Å) | | 主引用文献 | Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
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8Q6H
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4YJV
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6ZTC
 | | CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION. | | 分子名称: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ... | | 著者 | Somers, D.O. | | 登録日 | 2020-07-17 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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4L7S
 | | Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor | | 分子名称: | SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol | | 著者 | Somers, D.O. | | 登録日 | 2013-06-14 | | 公開日 | 2014-01-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
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3HMV
 | | Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor | | 分子名称: | (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Somers, D.O, Neu, M. | | 登録日 | 2009-05-29 | | 公開日 | 2010-06-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode
Bioorg.Med.Chem., 17, 2009
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3FRG
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3IPH
 | | Crystal structure of p38 in complex with a biphenylamide inhibitor | | 分子名称: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | | 著者 | Somers, D.O. | | 登録日 | 2009-08-17 | | 公開日 | 2009-11-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52, 2009
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3GWT
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2ZB1
 | | Crystal structure of P38 in complex with biphenyl amide inhibitor | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | | 著者 | Somers, D.O. | | 登録日 | 2007-10-13 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
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2ZAZ
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3D83
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3D3P
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4YJP
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223 | | 分子名称: | 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE, Tyrosine-protein kinase SYK | | 著者 | Somers, D.O, Neu, M. | | 登録日 | 2015-03-03 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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4YJU
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249 | | 分子名称: | N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | | 著者 | Somers, D.O, Neu, M, Stuckey, J. | | 登録日 | 2015-03-03 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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4YJT
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233 | | 分子名称: | GLYCEROL, N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-N~4~-ethyl-5-fluoro-N~4~-(1H-indazol-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | | 著者 | Somers, D.O, Neu, M, Stuckey, J. | | 登録日 | 2015-03-03 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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