4RIO

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

4RIO の概要

• エントリーDOI: 10.2210/pdb4rio/pdb
• 分子名称: Tyrosine-protein kinase JAK3, 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide (3 entities in total)
• 機能のキーワード: transferase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endomembrane system ; Peripheral membrane protein : P52333
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33530.33

構造登録者

Sack, J.S. (登録日: 2014-10-07, 公開日: 2014-12-24, 最終更新日: 2024-02-28)

• 主引用文献: 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; PubMed: 25453808; DOI: 10.1016/j.bmcl.2014.10.061

実験手法

X-RAY DIFFRACTION (2.69 Å)