4NMH

11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one

Summary for 4NMH

• Entry DOI: 10.2210/pdb4nmh/pdb
• Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
• Functional Keywords: nad(p)-binding rossmann-fold domains, oxidoreductase, 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: 4
• Total formula weight: 136616.21

Authors

McCoull, W.,Augustin, M.,Blake, C.,Ertan, A.,Kilgour, E.K.,Krapp, S.,Moore, J.E.,Newcombe, N.J.,Packer, M.J.,Rees, A.,Revill, J.,Scott, J.S.,Selmi, N.,Gerhardt, S.,Ogg, D.J.,Steinbacher, S.,Whittamore, P.R.O. (deposition date: 2013-11-15, release date: 2014-03-26, Last modification date: 2024-02-28)

• Primary citation: McCoull, W.,Augustin, M.,Blake, C.,Ertan, A.,Kilgour, E.K.,Krapp, S.,Moore, J.E.,Newcombe, N.J.,Packer, M.J.,Rees, A.,Revill, J.,Scott, J.S.,Selmi, N.,Gerhardt, S.,Ogg, D.J.,Steinbacher, S.,Whittamore, P.R.O.; Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1); TO BE PUBLISHED,

Experimental method

X-RAY DIFFRACTION (2.9 Å)