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本帖最后由 金鹏 于 2016-4-28 19:11 编辑
温度合适PPD很给力
New Projects 11414 and 11418 (0x21, GPU, Win/Lin)Two new projects (11414 and 11418) now active in BETA
11414:
77003 atoms
credit = 25888
k-factor = 0.75
timeout = 7days
deadline = 10days
GPU, Lin/Win, 0x21 v0.0.17
11418:
48189 atoms
credit = 12628
k-factor = 0.75
timeout = 7days
deadline = 10days
GPU, Lin/Win, 0x21 v0.0.17
These projects are modeling serine-threonine kinase Aurora Kinase A in complex with ADP, with (11414) and without (11418) the allosteric activator TPX2. The two conserved motifs of spindle peptide TPX2 bind Aurora A at an allosteric site, and are required for targeting Aurora A to the spindle apparatus during mitosis. The complex of Aurora A and TPX2 regulate the length of spindle fibers, ensuring they are the correct length during metaphase. Aurora kinases are overexposed in many tumor cell lines, and are thought to play a role in tumorigenesis.
Binding of TPX2 is believed to activate Aurora A, which then leads to phosphorylation of TPX2. However, crystal structures indicate no evidence of alteration to the configuration of the active site. These projects will allow a better understanding of how TPX2 is regulating AurA, and generally how an allosteric activator can control a kinase.
Thanks!
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