6VGL
JAK2 JH1 in complex with ruxolitinib
Summary for 6VGL
| Entry DOI | 10.2210/pdb6vgl/pdb |
| Descriptor | Tyrosine-protein kinase JAK2, (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile (3 entities in total) |
| Functional Keywords | janus associated kinase, jak2, kinase domain, jh1, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 4 |
| Total formula weight | 147047.22 |
| Authors | Davis, R.R.,Schonbrunn, E. (deposition date: 2020-01-08, release date: 2021-01-13, Last modification date: 2023-11-15) |
| Primary citation | Davis, R.R.,Li, B.,Yun, S.Y.,Chan, A.,Nareddy, P.,Gunawan, S.,Ayaz, M.,Lawrence, H.R.,Reuther, G.W.,Lawrence, N.J.,Schonbrunn, E. Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64:2228-2241, 2021 Cited by PubMed: 33570945DOI: 10.1021/acs.jmedchem.0c01952 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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