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PDB: 103 件

6SOD
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BU of 6sod by Molmil
Fragment N14056a in complex with MAP kinase p38-alpha
分子名称: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6SOV
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BU of 6sov by Molmil
Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha
分子名称: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-30
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5O90
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BU of 5o90 by Molmil
Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide.
分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
著者Nichols, C.E, De Nicola, G.F, Thapa, D.
登録日2017-06-15
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185.
Mol. Cell. Biol., 38, 2018

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件を2024-10-09に公開中

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