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4XS2

Irak4-inhibitor co-structure

Summary for 4XS2
Entry DOI10.2210/pdb4xs2/pdb
DescriptorInterleukin-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 Keywordskinase, phosphatase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm : Q9NWZ3
Total number of polymer chains4
Total formula weight137744.70
Authors
Fischmann, T.O. (deposition date: 2015-01-21, release date: 2015-05-13, Last modification date: 2023-09-27)
Primary citationMcElroy, 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: 25870132
DOI: 10.1016/j.bmcl.2015.03.043
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.73 Å)
Structure validation

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