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Structure paper

TitleSelectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 932-939, Year 2018
Publish dateNov 13, 2017 (structure data deposition date)
AuthorsDalton, S.E. / Dittus, L. / Thomas, D.A. / Convery, M.A. / Nunes, J. / Bush, J.T. / Evans, J.P. / Werner, T. / Bantscheff, M. / Murphy, J.A. / Campos, S.
External linksJ. Am. Chem. Soc. / PubMed:29232121
MethodsX-ray diffraction
Resolution2.04 - 2.2 Å
Structure data

PDB-6eyz:
PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6ez6:
PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-C5W:
2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-C5Z:
methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / Covalent inhibitor / kinase / drug discovery / complex

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