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6GL9

Crystal structure of JAK3 in complex with Compound 10 (FM475)

Summary for 6GL9
Entry DOI10.2210/pdb6gl9/pdb
Related6GLA 6GLB
DescriptorTyrosine-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 Keywordskinase, jak3, covalent inhibitor, reversible covalent inhibitor, induced pocket, arginine pocket, structural genomics consortium, sgc, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight68832.83
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 citationForster, 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: 29852068
DOI: 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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