6GLB

Crystal structure of JAK3 in complex with Compound 20 (FM484)

Summary for 6GLB

• Entry DOI: 10.2210/pdb6glb/pdb
• Related: 6GL9 6GLA
• Descriptor: Tyrosine-protein kinase JAK3, 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile, 1-phenylurea, ... (5 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: 68136.05

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; PubMed: 29852068; DOI: 10.1021/acs.jmedchem.8b00571

Experimental method

X-RAY DIFFRACTION (2 Å)