6GL9
Crystal structure of JAK3 in complex with Compound 10 (FM475)
Summary for 6GL9
Entry DOI | 10.2210/pdb6gl9/pdb |
Related | 6GLA 6GLB |
Descriptor | Tyrosine-protein kinase JAK3, (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile, 1-phenylurea, ... (6 entities in total) |
Functional Keywords | kinase, jak3, covalent inhibitor, reversible covalent inhibitor, induced pocket, arginine pocket, structural genomics consortium, sgc, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 68832.83 |
Authors | Chaikuad, A.,Forster, M.,von Delft, F.,Edwards, A.M.,Arrowsmith, C.H.,Bountra, C.,Laufer, S.A.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2018-05-23, release date: 2018-06-27, Last modification date: 2024-01-17) |
Primary citation | Forster, M.,Chaikuad, A.,Dimitrov, T.,Doring, E.,Holstein, J.,Berger, B.T.,Gehringer, M.,Ghoreschi, K.,Muller, S.,Knapp, S.,Laufer, S.A. Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61:5350-5366, 2018 Cited by PubMed: 29852068DOI: 10.1021/acs.jmedchem.8b00571 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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