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TitlePotent Preorganized Pyrazolidine Cyclophilin D Inhibitors Prevent Mitochondrial and Organ Injury in a Mouse Pancreatitis Disease Model.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 23910-23924, Year 2025
Publish dateOct 8, 2024 (structure data deposition date)
AuthorsAwais, M. / Woodley, C.M. / Guo, L. / Rogers, M. / Kershaw, N. / Zacharchenko, T. / Shore, E. / Kattakayam, A. / Mukherjee, R. / Criddle, D.N. ...Awais, M. / Woodley, C.M. / Guo, L. / Rogers, M. / Kershaw, N. / Zacharchenko, T. / Shore, E. / Kattakayam, A. / Mukherjee, R. / Criddle, D.N. / Leung, S.C. / Lee, H. / Burgess-McCann, J. / Luzyanin, K. / Berry, N.G. / Antonyuk, S. / Lian, L.Y. / Sutton, R. / O'Neill, P.M.
External linksJ. Med. Chem. / PubMed:41208336
MethodsX-ray diffraction
Resolution1.45 - 2.25 Å
Structure data

PDB-9h0s:
Scaffold-ligand complex
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-9htr:
Structure of CypD in complex with an inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-9CK:
1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PO4:
PHOSPHATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

PDB-1iu3:
CRYSTAL STRUCTURE OF THE E.COLI SEQA PROTEIN COMPLEXED WITH HEMIMETHYLATED DNA

Source
  • homo sapiens (human)
KeywordsISOMERASE / Peptidyl-prolyl cis-trans isomerase F / mitochondrial

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