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Structure paper

TitleStructural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 517-521, Year 2015
Publish dateMar 6, 2014 (structure data deposition date)
AuthorsCollier, P.N. / Martinez-Botella, G. / Cornebise, M. / Cottrell, K.M. / Doran, J.D. / Griffith, J.P. / Mahajan, S. / Maltais, F. / Moody, C.S. / Huck, E.P. ...Collier, P.N. / Martinez-Botella, G. / Cornebise, M. / Cottrell, K.M. / Doran, J.D. / Griffith, J.P. / Mahajan, S. / Maltais, F. / Moody, C.S. / Huck, E.P. / Wang, T. / Aronov, A.M.
External linksJ. Med. Chem. / PubMed:24754609
MethodsX-ray diffraction
Resolution2.69 - 2.99 Å
Structure data

PDB-4ps3:
Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4ps7:
Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

PDB-4ps8:
Structure of PI3K gamma in complex with N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.99 Å

Chemicals

ChemComp-2WH:
1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea

ChemComp-HOH:
WATER

ChemComp-2WJ:
N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide

ChemComp-2WK:
N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / serine/threonine protein kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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