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Title | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. |
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Journal, issue, pages | J. Med. Chem., Vol. 67, Page 7245-7259, Year 2024 |
Publish date | Apr 21, 2023 (structure data deposition date) |
![]() | Balikci, E. / Marques, A.M.C. / Bauer, L.G. / Seupel, R. / Bennett, J. / Raux, B. / Buchan, K. / Simelis, K. / Singh, U. / Rogers, C. ...Balikci, E. / Marques, A.M.C. / Bauer, L.G. / Seupel, R. / Bennett, J. / Raux, B. / Buchan, K. / Simelis, K. / Singh, U. / Rogers, C. / Ward, J. / Cheng, C. / Szommer, T. / Schutzenhofer, K. / Elkins, J.M. / Sloman, D.L. / Ahel, I. / Fedorov, O. / Brennan, P.E. / Huber, K.V.M. |
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Methods | X-ray diffraction |
Resolution | 1.82 - 2.288 Å |
Structure data | ![]() PDB-8otv: ![]() PDB-8rdz: ![]() PDB-8riy: |
Chemicals | ![]()
ChemComp-W0O: ![]() ChemComp-DMS: ![]() ChemComp-MG: ![]() ChemComp-HOH: ![]() PDB-1h14: ![]() ChemComp-EDO: |
Source |
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![]() | HYDROLASE / HYDROLASE INHIBITOR / Structural Genomics / Structural Genomics Consortium / SGC / Nudix domain / ADPR / ADP-ribose pyrophosphatase / NUDt5 / NUDIX |