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TitleA Hybrid Experimental and in silico Platform for ITPK1 Chemical Probe Discovery.
Journal, issue, pagesSlas Discov, Page 100323-100323, Year 2026
Publish dateMay 13, 2026 (structure data deposition date)
AuthorsYasgar, A. / Jain, S. / Wang, H. / Lee, C.S. / Zong, G. / Zhang, H. / Lindberg, E. / Woodroofe, C. / Lane, K. / Blackman, B. ...Yasgar, A. / Jain, S. / Wang, H. / Lee, C.S. / Zong, G. / Zhang, H. / Lindberg, E. / Woodroofe, C. / Lane, K. / Blackman, B. / Crook, D. / Lin, H. / Baljinnyam, B. / Ronzetti, M. / Simeonov, A. / Rana, S. / Rai, G. / Shears, S. / Stanley, R.E. / Zakharov, A.V. / Luo, J. / Martinez, N.J.
External linksSlas Discov / PubMed:42336208
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-13lz:
Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in Complex with an Inhibitor NCGC00879727
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

PDB-1dhl:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / inhibitor development / inositol phosphate kinase / inhibitor complex / cancer therapy

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