TY  - JOUR
AU  - Mehlman, Tamar
AU  - Ginn, Helen M.
AU  - Keedy, Daniel A.
TI  - An expanded trove of fragment-bound structures for the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data
JO  - Structure
VL  - 32
IS  - 8
SN  - 0969-2126
CY  - Cambridge, Mass.
PB  - Cell Press
M1  - PUBDB-2024-05462
SP  - 1231-1238.e4
PY  - 2024
N1  - Waiting for fulltext
AB  - 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
LB  - PUB:(DE-HGF)16
C6  - pmid:38861991
UR  - <Go to ISI:>//WOS:001292191500001
DO  - DOI:10.1016/j.str.2024.05.010
UR  - https://bib-pubdb1.desy.de/record/612788
ER  -