%0 Journal Article
%A Mehlman, Tamar
%A Ginn, Helen M.
%A Keedy, Daniel A.
%T An expanded trove of fragment-bound structures for the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data
%J Structure
%V 32
%N 8
%@ 0969-2126
%C Cambridge, Mass.
%I Cell Press
%M PUBDB-2024-05462
%P 1231-1238.e4
%D 2024
%Z Waiting for fulltext
%X Due to their low binding affinities, detecting small-molecule fragments bound to protein structures from crystallographic datasets has been a challenge. Here, we report a trove of 65 new fragment hits for PTP1B, an “undruggable” therapeutic target enzyme for diabetes and cancer. These structures were obtained from computational analysis of data from a large crystallographic screen, demonstrating the power of this approach to elucidate many (∼50
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:38861991
%U <Go to ISI:>//WOS:001292191500001
%R 10.1016/j.str.2024.05.010
%U https://bib-pubdb1.desy.de/record/612788