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TitleDiscovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography.
Journal, issue, pagesComput Struct Biotechnol J, Vol. 19, Page 4079-4091, Year 2021
Publish dateMay 14, 2021 (structure data deposition date)
AuthorsHan, J.T. / Zhu, Y. / Pan, D.B. / Xue, H.X. / Wang, S. / Peng, Y. / Liu, H. / He, Y.X. / Yao, X.
External linksComput Struct Biotechnol J / PubMed:34401048
MethodsX-ray diffraction
Resolution1.31 - 1.5 Å
Structure data

PDB-7ett:
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7etu:
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-7etv:
The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

Chemicals

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsISOMERASE

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