5VO6

CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR

Summary for 5VO6

Entry DOI	10.2210/pdb5vo6/pdb
Descriptor	Tyrosine-protein kinase JAK3, 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[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	33631.50
Authors	Sack, J.S. (deposition date: 2017-05-02, release date: 2017-05-31, Last modification date: 2024-03-13)
Primary citation	Hynes, J.,Wu, H.,Kempson, J.,Duan, J.J.,Lu, Z.,Jiang, B.,Stachura, S.,Tokarski, J.S.,Sack, J.S.,Khan, J.A.,Lippy, J.S.,Zhang, R.F.,Pitt, S.,Shen, G.,Gillooly, K.,McIntyre, K.,Carter, P.H.,Barrish, J.C.,Nadler, S.G.,Salter-Cid, L.M.,Fura, A.,Schieven, G.L.,Pitts, W.J.,Wrobleski, S.T. Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Bioorg. Med. Chem. Lett., 27:3101-3106, 2017 Cited by PubMed: 28539220 DOI: 10.1016/j.bmcl.2017.05.043 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.65 Å)

Structure validation