3QGY

Crystal structure of ITK inhibitor complex

Summary for 3QGY

• Entry DOI: 10.2210/pdb3qgy/pdb
• Related: 3QGW
• Descriptor: Tyrosine-protein kinase ITK/TSK, 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide, N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide, ... (4 entities in total)
• Functional Keywords: protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cell membrane (By similarity): Q08881
• Total number of polymer chains: 2
• Total formula weight: 65825.16

Authors

Brown, K.,Cheetham, G.M.T. (deposition date: 2011-01-25, release date: 2011-06-22, Last modification date: 2024-03-20)

• Primary citation: Charrier, J.D.,Miller, A.,Kay, D.P.,Brenchley, G.,Twin, H.C.,Collier, P.N.,Ramaya, S.,Keily, S.B.,Durrant, S.J.,Knegtel, R.M.,Tanner, A.J.,Brown, K.,Curnock, A.P.,Jimenez, J.M.; Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors; J.Med.Chem., 54:2341-2350, 2011; PubMed: 21391610; DOI: 10.1021/jm101499u

Experimental method

X-RAY DIFFRACTION (2.1 Å)