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 Cited by PubMed: 37314941DOI: 10.1021/acs.jmedchem.3c00519 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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