8S99
Crystal structure of the TYK2 pseudokinase domain in complex with compound 11
Summary for 8S99
Entry DOI | 10.2210/pdb8s99/pdb |
Descriptor | Non-receptor tyrosine-protein kinase TYK2, (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | tyk2, pseudokinase, jh2, immunology, transferase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 3 |
Total formula weight | 100872.11 |
Authors | Toms, A.V.,Leit, S.,Greenwood, J.R.,Carriero, S.,Mondal, S.,Abel, R.,Ashwell, M.,Blanchette, H.,Boyles, N.,Cartwright, M.,Collis, A.,Feng, S.,Ghanakota, P.,Harriman, G.C.,Hosagrahara, V.,Kaila, N.,Kapeller, R.,Rafi, S.,Romero, D.L.,Tarantino, P.,Timaniya, J.,Wester, R.T.,Westlin, W.,Srivastava, B.,Miao, W.,Tummino, P.,McElwee, J.J.,Edmondson, S.D.,Massee, C.E. (deposition date: 2023-03-27, release date: 2023-07-26, Last modification date: 2023-08-23) |
Primary citation | Leit, S.,Greenwood, J.,Carriero, S.,Mondal, S.,Abel, R.,Ashwell, M.,Blanchette, H.,Boyles, N.A.,Cartwright, M.,Collis, A.,Feng, S.,Ghanakota, P.,Harriman, G.C.,Hosagrahara, V.,Kaila, N.,Kapeller, R.,Rafi, S.B.,Romero, D.L.,Tarantino, P.M.,Timaniya, J.,Toms, A.V.,Wester, R.T.,Westlin, W.,Srivastava, B.,Miao, W.,Tummino, P.,McElwee, J.J.,Edmondson, S.D.,Masse, C.E. Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66:10473-10496, 2023 Cited by PubMed: 37427891DOI: 10.1021/acs.jmedchem.3c00600 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.71 Å) |
Structure validation
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