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TitleIn silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 110, Page 8182-8187, Year 2013
Publish dateAug 1, 2012 (structure data deposition date)
AuthorsShima, F. / Yoshikawa, Y. / Ye, M. / Araki, M. / Matsumoto, S. / Liao, J. / Hu, L. / Sugimoto, T. / Ijiri, Y. / Takeda, A. ...Shima, F. / Yoshikawa, Y. / Ye, M. / Araki, M. / Matsumoto, S. / Liao, J. / Hu, L. / Sugimoto, T. / Ijiri, Y. / Takeda, A. / Nishiyama, Y. / Sato, C. / Muraoka, S. / Tamura, A. / Osoda, T. / Tsuda, K. / Miyakawa, T. / Fukunishi, H. / Shimada, J. / Kumasaka, T. / Yamamoto, M. / Kataoka, T.
External linksProc. Natl. Acad. Sci. USA / PubMed:23630290
MethodsNMR (solution)
Structure data

PDB-2lwi:
Solution structure of H-RasT35S mutant protein in complex with Kobe2601
Method: SOLUTION NMR

Chemicals

ChemComp-GNP:
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GppNHp, GMPPNP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-KOB:
2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / Ras / GTP-Bound Form / SIGNALING PROTEIN-INHIBITOR complex

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