Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers

[Image: see text] 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 bee...

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書誌詳細
出版年:ACS Med Chem Lett
主要な著者: Dolbois, Aymeric, Batiste, Laurent, Wiedmer, Lars, Dong, Jing, Brütsch, Manuela, Huang, Danzhi, Deerain, Nicholas M., Spiliotopoulos, Dimitrios, Cheng-Sánchez, Iván, Laul, Eleen, Nevado, Cristina, Śledź, Paweł, Caflisch, Amedeo
フォーマット: Artigo
言語:Inglês
出版事項: American Chemical Society 2020
オンライン･アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC7429973/
https://ncbi.nlm.nih.gov/pubmed/32832026
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsmedchemlett.0c00080
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