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TitleGenerative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Journal, issue, pagesNat Commun, Vol. 13, Page 6891-6891, Year 2022
Publish dateJul 4, 2022 (structure data deposition date)
AuthorsLi, Y. / Zhang, L. / Wang, Y. / Zou, J. / Yang, R. / Luo, X. / Wu, C. / Yang, W. / Tian, C. / Xu, H. ...Li, Y. / Zhang, L. / Wang, Y. / Zou, J. / Yang, R. / Luo, X. / Wu, C. / Yang, W. / Tian, C. / Xu, H. / Wang, F. / Yang, X. / Li, L. / Yang, S.
External linksNat Commun / PubMed:36371441
MethodsX-ray diffraction
Resolution2.642 Å
Structure data

PDB-7ydx:
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
Method: X-RAY DIFFRACTION / Resolution: 2.642 Å

Chemicals

ChemComp-3CI:
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / RIPK1 / kinase / complex / inhibitor

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