3GMD

Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I

Summary for 3GMD

• Entry DOI: 10.2210/pdb3gmd/pdb
• Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, ... (5 entities in total)
• Functional Keywords: alpha/beta, endoplasmic reticulum, glycoprotein, lipid metabolism, membrane, nadp, oxidoreductase, signal-anchor, steroid metabolism, transmembrane, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Mus musculus (mouse)
• Cellular location: Endoplasmic reticulum membrane; Single-pass type II membrane protein: P50172
• Total number of polymer chains: 8
• Total formula weight: 241478.85

Authors

Valeur, E.,Lepifre, F.,Roche, D.,Christmann-Franck, S.,Hillertz, P.,Musil, D. (deposition date: 2009-03-13, release date: 2010-11-17, Last modification date: 2024-02-21)

• Primary citation: Valeur, E.,Christmann-Franck, S.,Lepifre, F.,Carniato, D.,Cravo, D.,Charon, C.,Bozec, S.,Musil, D.,Hillertz, P.,Doare, L.,Schmidlin, F.,Lecomte, M.,Schultz, M.,Roche, D.; Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I.; Bioorg.Med.Chem.Lett., 22:5909-5914, 2012; PubMed: 22901389; DOI: 10.1016/j.bmcl.2012.07.070

Experimental method

X-RAY DIFFRACTION (2.28 Å)