5WFJ

THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR

Summary for 5WFJ

• Entry DOI: 10.2210/pdb5wfj/pdb
• Descriptor: Tyrosine-protein kinase JAK3, 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide (3 entities in total)
• Functional Keywords: transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : P52333
• Total number of polymer chains: 1
• Total formula weight: 33591.39

Authors

Sack, J. (deposition date: 2017-07-12, release date: 2017-10-04, Last modification date: 2024-10-16)

Primary citation

Kempson, J.,Ovalle, D.,Guo, J.,Wrobleski, S.T.,Lin, S.,Spergel, S.H.,Duan, J.J.,Jiang, B.,Lu, Z.,Das, J.,Yang, B.V.,Hynes, J.,Wu, H.,Tokarski, J.,Sack, J.S.,Khan, J.,Schieven, G.,Blatt, Y.,Chaudhry, C.,Salter-Cid, L.M.,Fura, A.,Barrish, J.C.,Carter, P.H.,Pitts, W.J.
Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27:4622-4625, 2017

PubMed Abstract: A useful and novel set of tool molecules have been identified which bind irreversibly to the JAK3 active site cysteine residue. The design was based on crystal structure information and a comparative study of several electrophilic warheads.

PubMed: 28927786
DOI: 10.1016/j.bmcl.2017.09.023

Experimental method

X-RAY DIFFRACTION (2.48 Å)