6NZF

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE

Summary for 6NZF

• Entry DOI: 10.2210/pdb6nzf/pdb
• Descriptor: Non-receptor tyrosine-protein kinase TYK2, 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: jtk1, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 72117.38

Authors

Muckelbauer, J.M. (deposition date: 2019-02-13, release date: 2019-07-24, Last modification date: 2023-10-11)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.39 Å)