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; PubMed: 37427891; DOI: 10.1021/acs.jmedchem.3c00600

Experimental method

X-RAY DIFFRACTION (1.71 Å)