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Structure paper

TitleDiscovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 1117-1122, Year 2018
Publish dateAug 5, 2018 (structure data deposition date)
AuthorsZhang, Y. / Zhao, Y. / Tebben, A.J. / Sheriff, S. / Ruzanov, M. / Fereshteh, M.P. / Fan, Y. / Lippy, J. / Swanson, J. / Ho, C.P. ...Zhang, Y. / Zhao, Y. / Tebben, A.J. / Sheriff, S. / Ruzanov, M. / Fereshteh, M.P. / Fan, Y. / Lippy, J. / Swanson, J. / Ho, C.P. / Wautlet, B.S. / Rose, A. / Parrish, K. / Yang, Z. / Donnell, A.F. / Zhang, L. / Fink, B.E. / Vite, G.D. / Augustine-Rauch, K. / Fargnoli, J. / Borzilleri, R.M.
External linksACS Med Chem Lett / PubMed:30429955
MethodsX-ray diffraction
Resolution1.57 - 1.98 Å
Structure data

PDB-5qik:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5qil:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5qim:
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5qin:
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

Chemicals

ChemComp-J2M:
N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-J2V:
N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide

ChemComp-J2Y:
N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide

ChemComp-MG:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / ALK5 / SB431542 / KINASE DOMAIN / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE

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