6SM8
Human jak1 kinase domain in complex with inhibitor
Summary for 6SM8
Entry DOI | 10.2210/pdb6sm8/pdb |
Descriptor | Tyrosine-protein kinase JAK1, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | janus kinase 1 kinase domain (jak1), transferase |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 2 |
Total formula weight | 70446.08 |
Authors | Read, J.A.,Steuber, H. (deposition date: 2019-08-21, release date: 2020-04-29, Last modification date: 2020-05-27) |
Primary citation | Su, Q.,Banks, E.,Bebernitz, G.,Bell, K.,Borenstein, C.F.,Chen, H.,Chuaqui, C.E.,Deng, N.,Ferguson, A.D.,Kawatkar, S.,Grimster, N.P.,Ruston, L.,Lyne, P.D.,Read, J.A.,Peng, X.,Pei, X.,Fawell, S.,Tang, Z.,Throner, S.,Vasbinder, M.M.,Wang, H.,Winter-Holt, J.,Woessner, R.,Wu, A.,Yang, W.,Zinda, M.,Kettle, J.G. Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J.Med.Chem., 63:4517-4527, 2020 Cited by PubMed: 32297743DOI: 10.1021/acs.jmedchem.9b01392 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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