8FLG
Bruton's tyrosine kinase in complex with an orthosteric inhibitor
Summary for 8FLG
Entry DOI | 10.2210/pdb8flg/pdb |
Descriptor | Tyrosine-protein kinase BTK, DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, ... (4 entities in total) |
Functional Keywords | tyrosine protein kinase btk, ligase, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 34359.85 |
Authors | Metrick, C.M.,Marcotte, D.J. (deposition date: 2022-12-21, release date: 2023-03-01, Last modification date: 2024-05-22) |
Primary citation | Vandeveer, G.H.,Arduini, R.M.,Baker, D.P.,Barry, K.,Bohnert, T.,Bowden-Verhoek, J.K.,Conlon, P.,Cullen, P.F.,Guan, B.,Jenkins, T.J.,Liao, S.Y.,Lin, L.,Liu, Y.T.,Marcotte, D.,Mertsching, E.,Metrick, C.M.,Negrou, E.,Powell, N.,Scott, D.,Silvian, L.F.,Hopkins, B.T. Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80:129108-129108, 2023 Cited by PubMed: 36538993DOI: 10.1016/j.bmcl.2022.129108 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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