8S9A

Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279

Summary for 8S9A

• Entry DOI: 10.2210/pdb8s9a/pdb
• Descriptor: Non-receptor tyrosine-protein kinase TYK2, (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, ACETATE ION, ... (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: 101501.89

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 (1.83 Å)