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PDB: 61 件
5H8N
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BU of 5h8n by Molmil
Structure of the human GluN1/GluN2A LBD in complex with NAM
分子名称: 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide, CALCIUM ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
6NYH
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Structure of human RIPK1 kinase domain in complex with GNE684
分子名称: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Fong, R, Lupardus, P.J.
登録日2019-02-11
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
5IXD
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Structure of human JAK1 FERM/SH2 in complex with IFN lambda receptor
分子名称: CITRIC ACID, Interferon lambda receptor 1, Tyrosine-protein kinase JAK1
著者Ferrao, R, Wallweber, H.J.A, Lupardus, P.J.
登録日2016-03-23
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The Structural Basis for Class II Cytokine Receptor Recognition by JAK1.
Structure, 24, 2016
5IXI
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Structure of human JAK1 FERM/SH2 in complex with IFNLR1/IL10RA chimera
分子名称: Chimera protein of Interferon lambda receptor 1 and Interleukin-10 receptor subunit alpha, Tyrosine-protein kinase JAK1
著者Ferrao, R, Wallweber, H.J.A, Lupardus, P.J.
登録日2016-03-23
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The Structural Basis for Class II Cytokine Receptor Recognition by JAK1.
Structure, 24, 2016
6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
登録日2019-03-12
公開日2019-05-22
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6NW2
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BU of 6nw2 by Molmil
Structure of human RIPK1 kinase domain in complex with compound 11
分子名称: (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Fong, R, Lupardus, P.J.
登録日2019-02-05
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
6O9D
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BU of 6o9d by Molmil
Structure of the IRAK4 kinase domain with compound 5
分子名称: Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O95
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BU of 6o95 by Molmil
Structure of the IRAK4 kinase domain with compound 41
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6RSB
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BU of 6rsb by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
6RSH
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BU of 6rsh by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
6RSC
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BU of 6rsc by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
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件を2024-07-17に公開中

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