8E2M
Bruton's tyrosine kinase (BTK) with compound 13
Summary for 8E2M
Entry DOI | 10.2210/pdb8e2m/pdb |
Descriptor | Tyrosine-protein kinase BTK, (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, ... (4 entities in total) |
Functional Keywords | protein kinase, inhibitor, covalent, transferase-transferase inhibitor complex, transferase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 32269.11 |
Authors | Alexander, R.,Milligan, C.M. (deposition date: 2022-08-15, release date: 2022-11-16, Last modification date: 2024-04-03) |
Primary citation | Tichenor, M.S.,Wiener, J.J.M.,Rao, N.L.,Bacani, G.M.,Wei, J.,Pooley Deckhut, C.,Barbay, J.K.,Kreutter, K.D.,Chang, L.,Clancy, K.W.,Murrey, H.E.,Wang, W.,Ahn, K.,Huber, M.,Rex, E.,Coe, K.J.,Wu, J.,Rui, H.,Sepassi, K.,Gaudiano, M.,Bekkers, M.,Cornelissen, I.,Packman, K.,Seierstad, M.,Xiouras, C.,Bembenek, S.D.,Alexander, R.,Milligan, C.,Balasubramanian, S.,Lebsack, A.D.,Venable, J.D.,Philippar, U.,Edwards, J.P.,Hirst, G. Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 65:14326-14336, 2022 Cited by PubMed: 36314537DOI: 10.1021/acs.jmedchem.2c01026 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.904 Å) |
Structure validation
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