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-Structure paper
Title | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. |
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Journal, issue, pages | J. Med. Chem., Vol. 66, Page 16051-16061, Year 2023 |
Publish date | Feb 26, 2020 (structure data deposition date) |
Authors | Ahmad, S. / Xu, J. / Feng, J.A. / Hutchinson, A. / Zeng, H. / Ghiabi, P. / Dong, A. / Centrella, P.A. / Clark, M.A. / Guie, M.A. ...Ahmad, S. / Xu, J. / Feng, J.A. / Hutchinson, A. / Zeng, H. / Ghiabi, P. / Dong, A. / Centrella, P.A. / Clark, M.A. / Guie, M.A. / Guilinger, J.P. / Keefe, A.D. / Zhang, Y. / Cerruti, T. / Cuozzo, J.W. / von Rechenberg, M. / Bolotokova, A. / Li, Y. / Loppnau, P. / Seitova, A. / Li, Y.Y. / Santhakumar, V. / Brown, P.J. / Ackloo, S. / Halabelian, L. |
External links | J. Med. Chem. / PubMed:37996079 |
Methods | X-ray diffraction |
Resolution | 2.1 - 2.21 Å |
Structure data | PDB-6vyc: PDB-8shj: PDB-8t55: |
Chemicals | ChemComp-UNX: ChemComp-HOH: ChemComp-ZI8: ChemComp-ZI3: ChemComp-EDO: |
Source |
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Keywords | PROTEIN TRANSPORT / WDR91 / WD-repeat / Structural Genomics / Structural Genomics Consortium / SGC / TRANSPORT PROTEIN / WDR / PSI-2 / Protein Structure Initiative / covalent ligand |