6NZM
Brutons tyrosine kinase in complex with compound 50.
Summary for 6NZM
Entry DOI | 10.2210/pdb6nzm/pdb |
Descriptor | Tyrosine-protein kinase BTK, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, 1,2-ETHANEDIOL, ... (4 entities in total) |
Functional Keywords | brutons tyrosine kinase btk, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 66039.67 |
Authors | Marcotte, D.J. (deposition date: 2019-02-14, release date: 2019-06-12, Last modification date: 2024-03-13) |
Primary citation | Hopkins, B.T.,Bame, E.,Bell, N.,Bohnert, T.,Bowden-Verhoek, J.K.,Bui, M.,Cancilla, M.T.,Conlon, P.,Cullen, P.,Erlanson, D.A.,Fan, J.,Fuchs-Knotts, T.,Hansen, S.,Heumann, S.,Jenkins, T.J.,Marcotte, D.,McDowell, B.,Mertsching, E.,Negrou, E.,Otipoby, K.L.,Poreci, U.,Romanowski, M.J.,Scott, D.,Silvian, L.,Yang, W.,Zhong, M. Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg.Med.Chem., 27:2905-2913, 2019 Cited by PubMed: 31138459DOI: 10.1016/j.bmc.2019.05.021 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.72 Å) |
Structure validation
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