8BM2

Crystal structure of JAK2 JH1 in complex with gandotinib

Summary for 8BM2

Entry DOI	10.2210/pdb8bm2/pdb
Descriptor	Tyrosine-protein kinase JAK2, 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (3 entities in total)
Functional Keywords	janus kinase, inhibitor complex, jak2, jh1, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	75590.56
Authors	Miao, Y.,Haikarainen, T. (deposition date: 2022-11-10, release date: 2023-11-22, Last modification date: 2024-07-10)
Primary citation	Miao, Y.,Virtanen, A.,Zmajkovic, J.,Hilpert, M.,Skoda, R.C.,Silvennoinen, O.,Haikarainen, T. Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67:10012-10024, 2024 Cited by PubMed: 38843875 DOI: 10.1021/acs.jmedchem.4c00197 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation