3V8T

Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477

Summary for 3V8T

• Entry DOI: 10.2210/pdb3v8t/pdb
• Related: 3V5L 3V8T 3V8W 3VF8 3VF9
• Descriptor: Tyrosine-protein kinase ITK/TSK, 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : Q08881
• Total number of polymer chains: 2
• Total formula weight: 61344.04

Authors

McLean, L.R.,Zhang, Y. (deposition date: 2011-12-23, release date: 2012-05-02, Last modification date: 2023-09-13)

• Primary citation: McLean, L.R.,Zhang, Y.,Zaidi, N.,Bi, X.,Wang, R.,Dharanipragada, R.,Jurcak, J.G.,Gillespy, T.A.,Zhao, Z.,Musick, K.Y.,Choi, Y.M.,Barrague, M.,Peppard, J.,Smicker, M.,Duguid, M.,Parkar, A.,Fordham, J.,Kominos, D.; X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.; Bioorg.Med.Chem.Lett., 22:3296-3300, 2012; PubMed: 22464456; DOI: 10.1016/j.bmcl.2012.03.016

Experimental method

X-RAY DIFFRACTION (2 Å)