Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
https://figshare.com/articles/dataset/Hitting_a_Moving_Target_Simulation_and_Crystallography_Study_of_ATAD2_Bromodomain_Blockers/12613894
下载链接
链接失效反馈官方服务：
资源简介：
Small molecule ligand
binding to the ATAD2 bromodomain is investigated
here through the synergistic combination of molecular dynamics and
protein crystallography. A previously unexplored conformation of the
binding pocket upon rearrangement of the gatekeeper residue Ile1074
has been found. Further, our investigations reveal how minor structural
differences in the ligands result in binding with different plasticity
of the ZA loop for this difficult-to-drug bromodomain.
创建时间：
2020-06-30
