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Structure paper

TitleDesign and synthesis of potent macrocyclic renin inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 358-362, Year 2011
Publish dateSep 20, 2010 (structure data deposition date)
AuthorsSund, C. / Belda, O. / Wiktelius, D. / Sahlberg, C. / Vrang, L. / Sedig, S. / Hamelink, E. / Henderson, I. / Agback, T. / Jansson, K. ...Sund, C. / Belda, O. / Wiktelius, D. / Sahlberg, C. / Vrang, L. / Sedig, S. / Hamelink, E. / Henderson, I. / Agback, T. / Jansson, K. / Borkakoti, N. / Derbyshire, D. / Eneroth, A. / Samuelsson, B.
External linksBioorg. Med. Chem. Lett. / PubMed:21112780
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-3own:
Potent macrocyclic renin inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-NA:
Unknown entry

ChemComp-3OX:
(2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide

ChemComp-3OW:
(2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide

ChemComp-HOH:
WATER

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

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