6NZH

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_40 AKA 6-cyclopropaneamido-4-[(2-methanesulfonylphenyl)amino]-N-methylpyridine-3-carboxamide

6NZH の概要

• エントリーDOI: 10.2210/pdb6nzh/pdb
• 分子名称: Non-receptor tyrosine-protein kinase TYK2, 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide (3 entities in total)
• 機能のキーワード: jtk1, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 71775.19

構造登録者

Muckelbauer, J.M. (登録日: 2019-02-13, 公開日: 2019-07-24, 最終更新日: 2023-10-11)

• 主引用文献: Moslin, R.,Zhang, Y.,Wrobleski, S.T.,Lin, S.,Mertzman, M.,Spergel, S.,Tokarski, J.S.,Strnad, J.,Gillooly, K.,McIntyre, K.W.,Zupa-Fernandez, A.,Cheng, L.,Sun, H.,Chaudhry, C.,Huang, C.,D'Arienzo, C.,Heimrich, E.,Yang, X.,Muckelbauer, J.K.,Chang, C.,Tredup, J.,Mulligan, D.,Xie, D.,Aranibar, N.,Chiney, M.,Burke, J.R.,Lombardo, L.,Carter, P.H.,Weinstein, D.S.; Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).; J.Med.Chem., 62:8953-8972, 2019; PubMed: 31314518; DOI: 10.1021/acs.jmedchem.9b00443

実験手法

X-RAY DIFFRACTION (2.73 Å)