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TitleNovel approach of fragment-based lead discovery applied to renin inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 24, Page 6066-6074, Year 2016
Publish dateAug 30, 2016 (structure data deposition date)
AuthorsTawada, M. / Suzuki, S. / Imaeda, Y. / Oki, H. / Snell, G. / Behnke, C.A. / Kondo, M. / Tarui, N. / Tanaka, T. / Kuroita, T. / Tomimoto, M.
External linksBioorg. Med. Chem. / PubMed:27720325
MethodsX-ray diffraction
Resolution2.64 Å
Structure data

PDB-5t4s:
Novel Approach of Fragment-Based Lead Discovery applied to Renin Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.64 Å

Chemicals

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

ChemComp-PG6:
1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE

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

ChemComp-77O:
6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE inhibitor / protein-ligand complex / HYDROLASE-HYDROLASE inhibitor complex

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