8S98

Crystal structure of the TYK2 pseudokinase domain in complex with compound 8

Summary for 8S98

Entry DOI	10.2210/pdb8s98/pdb
Descriptor	Non-receptor tyrosine-protein kinase TYK2, (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (3 entities in total)
Functional Keywords	tyk2, pseudokinase, jh2, immunology, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	3
Total formula weight	100073.46
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: 2023-11-15)
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: 37427891 DOI: 10.1021/acs.jmedchem.3c00600 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.87 Å)

Structure validation