4RIO

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

Summary for 4RIO

Entry DOI	10.2210/pdb4rio/pdb
Descriptor	Tyrosine-protein kinase JAK3, 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide (3 entities in total)
Functional Keywords	transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Cellular location	Endomembrane system ; Peripheral membrane protein : P52333
Total number of polymer chains	1
Total formula weight	33530.33
Authors	Sack, J.S. (deposition date: 2014-10-07, release date: 2014-12-24, Last modification date: 2024-02-28)
Primary citation	Duan, J.J.,Lu, Z.,Jiang, B.,Yang, B.V.,Doweyko, L.M.,Nirschl, D.S.,Haque, L.E.,Lin, S.,Brown, G.,Hynes, J.,Tokarski, J.S.,Sack, J.S.,Khan, J.,Lippy, J.S.,Zhang, R.F.,Pitt, S.,Shen, G.,Pitts, W.J.,Carter, P.H.,Barrish, J.C.,Nadler, S.G.,Salter-Cid, L.M.,McKinnon, M.,Fura, A.,Schieven, G.L.,Wrobleski, S.T. Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Bioorg.Med.Chem.Lett., 24:5721-5726, 2014 Cited by PubMed: 25453808 DOI: 10.1016/j.bmcl.2014.10.061 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.69 Å)

Structure validation