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Structure paper

TitleElectron-density-informed effective and reliable de novo molecular design and optimization with ED2Mol
Journal, issue, pagesNat Mach Intell, Vol. 7, Page 1355-1368, Year 2025
Publish dateNov 7, 2024 (structure data deposition date)
AuthorsLi, M. / Song, K. / He, J. / Zhao, M. / You, G. / Zhong, J. / Li, A. / Chen, Y. / Li, G. / Kong, Y. ...Li, M. / Song, K. / He, J. / Zhao, M. / You, G. / Zhong, J. / Li, A. / Chen, Y. / Li, G. / Kong, Y. / Wei, J. / Wang, Z. / Zhou, J. / Yang, H. / Ma, S. / Zhang, H. / Melita, I.L. / Lin, W. / Lu, Y. / Yu, Z. / Lu, X. / Zhao, Y. / Zhang, J.
External linksNat Mach Intell / Search PubMed
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-9kfu:
Human FGFR3 in complex with inhibitor F1
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

PDB-1l5t:
Crystal Structure of a Domain-Opened Mutant (R121D) of the Human Lactoferrin N-lobe Refined From a Merohedrally-Twinned Crystal Form.

ChemComp-SO4:
SULFATE ION

ChemComp-CO:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / INHIBITOR

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