为了计算设计阻断IL-6信号传导的拮抗剂，研究人员选择了IL-6在IL-6R上的结合位点（PDB 1N26），通过Site-I干扰IL-6的结合；IL-6在GP130上的结合位点（PDB 1P9M16），通过Site-II干扰IL-6的结合。为了开发阻断IL-1b信号传导的拮抗剂，研究人员选择了IL-1R中domain1和domain2之间铰链区域的配体结合位点（PDB...
IL-6通过将IL-6特异性IL-6R受体亚单位与共享的GP130受体亚单位结合成一个高阶复合物来传递信号,而IL-1通过将IL-1R亚单位与IL-1R辅助蛋白结合来传递信号。为了计算设计阻断IL-6信号传导的拮抗剂,研究人员选择了IL-6在IL-6R上的结合位点(PDB 1N26),通过Site-I干扰IL-6的结合;IL-6在GP130上的结合位点(PD...
IL-6通过将IL-6特异性IL-6R受体亚单位与共享的GP130受体亚单位结合成一个高阶复合物来传递信号,而IL-1通过将IL-1R亚单位与IL-1R辅助蛋白结合来传递信号。为了计算设计阻断IL-6信号传导的拮抗剂,研究人员选择了IL-6在IL-6R上的结合位点(PDB 1N26),通过Site-I干扰IL-6的结合;IL-6在GP130上的结合位点(PD...
开发DC-PGKI 作为改进的抑制剂 为了进一步了解 LTP-10 与 PGK1 的相互作用,作者将 LTP-10 对接到 PGK1 的 ADP 结合口袋(PDB ID:2XE7)。 对接预测 LTP-10 的 6,7-二氯喹喔啉骨架与 ADP 的嘌呤环重叠,并与周围的残基 (Leu256) 发生卤素键合。 2-羰基也与 Glu343 形成氢键。 因此,作者通过修改喹喔...
[0031] 在另一优选例中,所述霍乱毒素B亚单位的loop区包括:霍乱毒素B亚单位(CTB) 的 31-LAGKRE-36 位氨基酸残基(3CHB.pdb)。[0032] 在另一优选例中,所述抗原表位肤连接于所述载体蛋白的C末端和/或N末端形 成所述融合蛋白。[0033] 在另一优选例中,所述抗原表位和所述载体蛋白之间具有连接肤。优选地,...
我们标记了PGK1活化催化晶体结构(PDB:2WZD)中的所有修饰残基,有趣的是,我们发现所有的修饰都发生在PGK1的C-末端结构域,它负责ADP/ATP的结合。在这些修饰中,只有K220与ADP形成两个氢键,乙酰化的K220阻断了ADP的结合。其余的修改远离ADP/ATP口袋,与ADP没有直接交互作用。基于DC-PGKI是ADP/ATP的竞争对手,即ADP...
In this study, we used a crystal structure of the Fab part of olokizumab in a complex with IL-6 (PDB ID: 4CNI) to uncover starting points for small molecule IL-6 antagonist discovery. Firstly, a structure-based pharmacophore model of the protein active site cavity was generated to ...
The hIS200 peptide was designed using the human IL-6/IL-6Rα/gp130 structure (PDB ID: 1P9M). This peptide was chosen in loops exposed to the protein surface, which correspond to a region involved in the interaction between the cytokine IL-6 and its receptor IL-6Rα. ...
and IL-6 and gp80 from PDB entry 1P9M8,45, as search models. The initial structure was refined with iterative cycles of simulated annealing, energy minimization and manual rebuilding using CNS48,49and COOT50. Model geometry was validated using Molprobity51. Surface areas of the protein interf...
A recent study of a large cohort of patients with PDB found no evidence in support of an association between the disease and a persistent infection with measles or other paramyxoviruses [17]. There is good evidence, however, that paramyxoviruses and viral proteins can promote the formation of ...