6BBV

Crystal Structure of JAK2 in complex with compound 25

Summary for 6BBV

• Entry DOI: 10.2210/pdb6bbv/pdb
• Related: 6BBU
• Descriptor: Tyrosine-protein kinase JAK2, N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (3 entities in total)
• Functional Keywords: kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : O60674
• Total number of polymer chains: 1
• Total formula weight: 35197.14

Authors

Han, S. (deposition date: 2017-10-19, release date: 2018-01-17, Last modification date: 2024-03-13)

• Primary citation: Vazquez, M.L.,Kaila, N.,Strohbach, J.W.,Trzupek, J.D.,Brown, M.F.,Flanagan, M.E.,Mitton-Fry, M.J.,Johnson, T.A.,TenBrink, R.E.,Arnold, E.P.,Basak, A.,Heasley, S.E.,Kwon, S.,Langille, J.,Parikh, M.D.,Griffin, S.H.,Casavant, J.M.,Duclos, B.A.,Fenwick, A.E.,Harris, T.M.,Han, S.,Caspers, N.,Dowty, M.E.,Yang, X.,Banker, M.E.,Hegen, M.,Symanowicz, P.T.,Li, L.,Wang, L.,Lin, T.H.,Jussif, J.,Clark, J.D.,Telliez, J.B.,Robinson, R.P.,Unwalla, R.; Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.; J. Med. Chem., 61:1130-1152, 2018; PubMed: 29298069; DOI: 10.1021/acs.jmedchem.7b01598

Experimental method

X-RAY DIFFRACTION (1.8 Å)