8G8O

The crystal structure of JAK2 in complex with Compound 31

Summary for 8G8O

• Entry DOI: 10.2210/pdb8g8o/pdb
• Descriptor: Tyrosine-protein kinase JAK2, [1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}-3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: inhibitor, jak2, kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 75854.33

Authors

Miller, S.T.,Ellis, D.A. (deposition date: 2023-02-18, release date: 2023-06-21, Last modification date: 2023-11-15)

• Primary citation: Gordhan, H.M.,Miller, S.T.,Clancy, D.C.,Ina, M.,McDougal, A.V.,Cutno, D.K.,Brown, R.V.,Lichorowic, C.L.,Sturdivant, J.M.,Vick, K.A.,Williams, S.S.,deLong, M.A.,White, J.C.,Kopczynski, C.C.,Ellis, D.A.; Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.; J.Med.Chem., 66:8929-8950, 2023; PubMed: 37314941; DOI: 10.1021/acs.jmedchem.3c00519

Experimental method

X-RAY DIFFRACTION (2.2 Å)