4XS2
Irak4-inhibitor co-structure
Summary for 4XS2
Entry DOI | 10.2210/pdb4xs2/pdb |
Descriptor | Interleukin-1 receptor-associated kinase 4, (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol (3 entities in total) |
Functional Keywords | kinase, phosphatase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm : Q9NWZ3 |
Total number of polymer chains | 4 |
Total formula weight | 137744.70 |
Authors | Fischmann, T.O. (deposition date: 2015-01-21, release date: 2015-05-13, Last modification date: 2023-09-27) |
Primary citation | McElroy, W.T.,Michael Seganish, W.,Jason Herr, R.,Harding, J.,Yang, J.,Yet, L.,Komanduri, V.,Prakash, K.C.,Lavey, B.,Tulshian, D.,Greenlee, W.J.,Sondey, C.,Fischmann, T.O.,Niu, X. Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4. Bioorg.Med.Chem.Lett., 25:1836-1841, 2015 Cited by PubMed: 25870132DOI: 10.1016/j.bmcl.2015.03.043 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.73 Å) |
Structure validation
Download full validation report