3V5L
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
Summary for 3V5L
Entry DOI | 10.2210/pdb3v5l/pdb |
Related | 3V5J 3V8T 3V8W 3VF8 3VF9 |
Descriptor | Tyrosine-protein kinase ITK/TSK, 3-[3-(4-methoxyphenyl)-2-(1H-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 | 4 |
Total formula weight | 122816.47 |
Authors | McLean, L.R.,Zhang, Y. (deposition date: 2011-12-16, 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 Cited by PubMed: 22464456DOI: 10.1016/j.bmcl.2012.03.016 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.86 Å) |
Structure validation
Download full validation report