6NZQ
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
Summary for 6NZQ
Entry DOI | 10.2210/pdb6nzq/pdb |
Descriptor | Non-receptor tyrosine-protein kinase TYK2, 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide (3 entities in total) |
Functional Keywords | jtk1, pseudokinase, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 72029.39 |
Authors | Khan, J.A. (deposition date: 2019-02-14, release date: 2019-07-31, Last modification date: 2023-10-11) |
Primary citation | Wrobleski, S.T.,Moslin, R.,Lin, S.,Zhang, Y.,Spergel, S.,Kempson, J.,Tokarski, J.S.,Strnad, J.,Zupa-Fernandez, A.,Cheng, L.,Shuster, D.,Gillooly, K.,Yang, X.,Heimrich, E.,McIntyre, K.W.,Chaudhry, C.,Khan, J.,Ruzanov, M.,Tredup, J.,Mulligan, D.,Xie, D.,Sun, H.,Huang, C.,D'Arienzo, C.,Aranibar, N.,Chiney, M.,Chimalakonda, A.,Pitts, W.J.,Lombardo, L.,Carter, P.H.,Burke, J.R.,Weinstein, D.S. Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165. J.Med.Chem., 62:8973-8995, 2019 Cited by PubMed: 31318208DOI: 10.1021/acs.jmedchem.9b00444 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.11 Å) |
Structure validation
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