6NY4

Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor

Summary for 6NY4

Entry DOI	10.2210/pdb6ny4/pdb
Descriptor	Tyrosine-protein kinase JAK3, 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (3 entities in total)
Functional Keywords	transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	33594.39
Authors	Sack, J.S. (deposition date: 2019-02-11, release date: 2019-05-22, Last modification date: 2024-03-13)
Primary citation	Spergel, S.H.,Mertzman, M.E.,Kempson, J.,Guo, J.,Stachura, S.,Haque, L.,Lippy, J.S.,Zhang, R.F.,Galella, M.,Pitt, S.,Shen, G.,Fura, A.,Gillooly, K.,McIntyre, K.W.,Tang, V.,Tokarski, J.,Sack, J.S.,Khan, J.,Carter, P.H.,Barrish, J.C.,Nadler, S.G.,Salter-Cid, L.M.,Schieven, G.L.,Wrobleski, S.T.,Pitts, W.J. Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis. Acs Med.Chem.Lett., 10:306-311, 2019 Cited by PubMed: 30891131 DOI: 10.1021/acsmedchemlett.8b00508 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.33 Å)

Structure validation