8TU5
Bruton's tyrosine kinase in complex with covalent inhibitor compound 27
Summary for 8TU5
Entry DOI | 10.2210/pdb8tu5/pdb |
Related | 8TU3 8TU4 |
Descriptor | Tyrosine-protein kinase BTK, 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one (3 entities in total) |
Functional Keywords | kinase, transferase, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 33060.92 |
Authors | Metrick, C.M. (deposition date: 2023-08-15, release date: 2024-06-26, Last modification date: 2024-10-16) |
Primary citation | 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. Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67:8122-8140, 2024 Cited by PubMed: 38712838DOI: 10.1021/acs.jmedchem.4c00220 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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