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Structure paper

Titletrans-3,4-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part II: Prime site exploration using an oxygen linker.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1787-1791, Year 2015
Publish dateDec 18, 2014 (structure data deposition date)
AuthorsSellner, H. / Cottens, S. / Cumin, F. / Ehrhardt, C. / Kosaka, T. / Lorthiois, E. / Ostermann, N. / Webb, R.L. / Rigel, D.F. / Wagner, T. / Maibaum, J.
External linksBioorg. Med. Chem. Lett. / PubMed:25754490
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-4rz1:
RENIN IN COMPLEXED WITH (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-3ZN:
(3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate

ChemComp-SO4:
SULFATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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