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TitleProjected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 5137-5156, Year 2021
Publish dateFeb 5, 2021 (structure data deposition date)
AuthorsMethot, J.L. / Zhou, H. / McGowan, M.A. / Anthony, N.J. / Christopher, M. / Garcia, Y. / Achab, A. / Lipford, K. / Trotter, B.W. / Altman, M.D. ...Methot, J.L. / Zhou, H. / McGowan, M.A. / Anthony, N.J. / Christopher, M. / Garcia, Y. / Achab, A. / Lipford, K. / Trotter, B.W. / Altman, M.D. / Fradera, X. / Lesburg, C.A. / Li, C. / Alves, S. / Chappell, C.P. / Jain, R. / Mangado, R. / Pinheiro, E. / Williams, S.M.G. / Goldenblatt, P. / Hill, A. / Shaffer, L. / Chen, D. / Tong, V. / McLeod, R.L. / Lee, H.H. / Yu, H. / Shah, S. / Katz, J.D.
External linksJ. Med. Chem. / PubMed:33797901
MethodsX-ray diffraction
Resolution2.79 Å
Structure data

PDB-7lm2:
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

Chemicals

ChemComp-Y5Y:
cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PI3KDELTA KINASE / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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