Predicting small molecule binding pockets on diacylglycerol kinases using chemoproteomics and AlphaFold

Authors :: Roberto Mendez
Minhaj Shaikh
Michael C. Lemke
Kun Yuan
Adam H. Libby
Dina L. Bai
Mark M. Ross
Thurl E. Harris
Ku-Lung Hsu
Source :: RSC Chemical Biology.
Publication Year :: 2023
Publisher :: Royal Society of Chemistry (RSC), 2023.
Abstract: We provide a family-wide assessment of accessible sites for covalent targeting that combined with AlphaFold revealed predicted small molecule binding pockets for guiding future inhibitor development of the DGK superfamily.

Subjects :: Chemistry (miscellaneous)
Biochemistry, Genetics and Molecular Biology (miscellaneous)
Molecular Biology
Biochemistry

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