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Structure paper

Title2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 1592-1596, Year 2014
Publish dateDec 5, 2013 (structure data deposition date)
AuthorsCostales, A. / Mathur, M. / Ramurthy, S. / Lan, J. / Subramanian, S. / Jain, R. / Atallah, G. / Setti, L. / Lindvall, M. / Appleton, B.A. ...Costales, A. / Mathur, M. / Ramurthy, S. / Lan, J. / Subramanian, S. / Jain, R. / Atallah, G. / Setti, L. / Lindvall, M. / Appleton, B.A. / Ornelas, E. / Feucht, P. / Warne, B. / Doyle, L. / Basham, S.E. / Aronchik, I. / Jefferson, A.B. / Shafer, C.M.
External linksBioorg. Med. Chem. Lett. / PubMed:24534486
MethodsX-ray diffraction
Resolution1.74 - 1.94 Å
Structure data

PDB-4nw5:
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-4nw6:
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-2NR:
7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

ChemComp-HOH:
WATER

ChemComp-2NS:
7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

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

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