4PP9
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
Summary for 4PP9
Entry DOI | 10.2210/pdb4pp9/pdb |
Related | 4PPA 4PPB 4PPC |
Descriptor | Tyrosine-protein kinase ITK/TSK, SULFATE ION, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, ... (4 entities in total) |
Functional Keywords | protein kinase, phospho-transfer, 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 | 61305.82 |
Authors | Eigenbrot, C.,Shia, S. (deposition date: 2014-02-26, release date: 2014-06-04, Last modification date: 2023-09-20) |
Primary citation | Pastor, R.M.,Burch, J.D.,Magnuson, S.,Ortwine, D.F.,Chen, Y.,De La Torre, K.,Ding, X.,Eigenbrot, C.,Johnson, A.,Liimatta, M.,Liu, Y.,Shia, S.,Wang, X.,Wu, L.C.,Pei, Z. Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors. Bioorg.Med.Chem.Lett., 24:2448-2452, 2014 Cited by PubMed: 24767842DOI: 10.1016/j.bmcl.2014.04.023 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.58 Å) |
Structure validation
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