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6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
分子名称: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7A
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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N77
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BU of 6n77 by Molmil
Structure of the human JAK1 kinase domain with compound 15
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
分子名称: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N79
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BU of 6n79 by Molmil
Structure of the human JAK1 kinase domain with compound 20
分子名称: GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7C
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BU of 6n7c by Molmil
Structure of the human JAK1 kinase domain with compound 56
分子名称: GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
3DPD
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BU of 3dpd by Molmil
Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-Dihydro-2H-benzo[1,4]oxazines
分子名称: 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Ceska, T.A.
登録日2008-07-08
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines
Bioorg.Med.Chem.Lett., 18, 2008
3CGF
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BU of 3cgf by Molmil
IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding
分子名称: Mitogen-activated protein kinase 10, N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
著者Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Buckley, G.
登録日2008-03-05
公開日2008-06-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding
Bioorg.Med.Chem.Lett., 18, 2008

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