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| Title | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. |
|---|---|
| Journal, issue, pages | J. Med. Chem., Vol. 67, Page 8122-8140, Year 2024 |
| Publish date | Aug 15, 2023 (structure data deposition date) |
 Authors | Himmelbauer, M.K. / Bajrami, B. / Basile, R. / Capacci, A. / Chen, T. / Choi, C.K. / Gilfillan, R. / Gonzalez-Lopez de Turiso, F. / Gu, C. / Hoemberger, M. ...Himmelbauer, M.K. / Bajrami, B. / Basile, R. / Capacci, A. / Chen, T. / Choi, C.K. / Gilfillan, R. / Gonzalez-Lopez de Turiso, F. / Gu, C. / Hoemberger, M. / Johnson, D.S. / Jones, J.H. / Kadakia, E. / Kirkland, M. / Lin, E.Y. / Liu, Y. / Ma, B. / Magee, T. / Mantena, S. / Marx, I.E. / Metrick, C.M. / Mingueneau, M. / Murugan, P. / Muste, C.A. / Nadella, P. / Nevalainen, M. / Parker Harp, C.R. / Pattaropong, V. / Pietrasiewicz, A. / Prince, R.J. / Purgett, T.J. / Santoro, J.C. / Schulz, J. / Sciabola, S. / Tang, H. / Vandeveer, H.G. / Wang, T. / Yousaf, Z. / Helal, C.J. / Hopkins, B.T. |
 External links | J. Med. Chem. / PubMed:38712838 |
| Methods | X-ray diffraction |
| Resolution | 1.6 - 2.1 Å |
| Structure data |  PDB-8tu3:  PDB-8tu4:  PDB-8tu5: |
| Chemicals | 
ChemComp-UEO:  ChemComp-HOH:
ChemComp-V72:
ChemComp-V7I: |
| Source |
|
 Keywords | TRANSFERASE/INHIBITOR / kinase / TRANSFERASE / TRANSFERASE-INHIBITOR complex |
homo sapiens (human)