3Q32

Structure of Janus kinase 2 with a pyrrolotriazine inhibitor

Summary for 3Q32

• Entry DOI: 10.2210/pdb3q32/pdb
• Descriptor: Tyrosine-protein kinase JAK2, 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone (3 entities in total)
• Functional Keywords: atp-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system; Peripheral membrane protein (By similarity): O60674
• Total number of polymer chains: 2
• Total formula weight: 72356.20

Authors

Sack, J.S. (deposition date: 2010-12-21, release date: 2011-02-16, Last modification date: 2011-07-13)

• Primary citation: Harikrishnan, L.S.,Kamau, M.G.,Wan, H.,Inghrim, J.A.,Zimmermann, K.,Sang, X.,Mastalerz, H.A.,Johnson, W.L.,Zhang, G.,Lombardo, L.J.,Poss, M.A.,Trainor, G.L.,Tokarski, J.S.,Lorenzi, M.V.,You, D.,Gottardis, M.M.,Baldwin, K.F.,Lippy, J.,Nirschl, D.S.,Qiu, R.,Miller, A.V.,Khan, J.,Sack, J.S.,Purandare, A.V.; Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3.; Bioorg.Med.Chem.Lett., 21:1425-1428, 2011; PubMed: 21282055; DOI: 10.1016/j.bmcl.2011.01.022

Experimental method

X-RAY DIFFRACTION (2.5 Å)