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Structure paper

TitleDiscovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 4971-4983, Year 2018
Publish dateJul 18, 2018 (structure data deposition date)
AuthorsHamaguchi, H. / Amano, Y. / Moritomo, A. / Shirakami, S. / Nakajima, Y. / Nakai, K. / Nomura, N. / Ito, M. / Higashi, Y. / Inoue, T.
External linksBioorg. Med. Chem. / PubMed:30145050
MethodsX-ray diffraction
Resolution1.83 - 2.67 Å
Structure data

PDB-6aah:
Crystal structure of JAK1 in complex with peficitinib
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-6aaj:
Crystal structure of JAK2 in complex with peficitinib
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-6aak:
Crystal structure of JAK3 in complex with peficitinib
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

PDB-6aam:
Crystal structure of TYK2 in complex with peficitinib
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

Chemicals

ChemComp-9T6:
4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

ChemComp-HOH:
WATER

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

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