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Structure paper

TitleCovalent targeting of non-cysteine residues in PI4KIII beta.
Journal, issue, pagesRsc Chem Biol, Vol. 4, Page 1111-1122, Year 2023
Publish dateAug 11, 2023 (structure data deposition date)
AuthorsCosgrove, B. / Grant, E.K. / Bertrand, S. / Down, K.D. / Somers, D.O. / P Evans, J. / Tomkinson, N.C.O. / Barker, M.D.
External linksRsc Chem Biol / PubMed:38033723
MethodsX-ray diffraction
Resolution1.506 - 1.94 Å
Structure data

PDB-8q6f:
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 4)
Method: X-RAY DIFFRACTION / Resolution: 1.506 Å

PDB-8q6g:
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 8)
Method: X-RAY DIFFRACTION / Resolution: 1.541 Å

PDB-8q6h:
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 11)
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-KHR:
3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine

ChemComp-MG:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-KIH:
3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine

ChemComp-KI7:
3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / LIPID KINASE / TRANSFERASE-SIGNALING PROTEIN COMPLEX / COVALENT INHIBITOR.

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