4C7K

11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor

Summary for 4C7K

• Entry DOI: 10.2210/pdb4c7k/pdb
• Related: 4C7J
• Descriptor: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide, ... (4 entities in total)
• Functional Keywords: oxidoreductase, cns penetration, structure-based design
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Endoplasmic reticulum membrane ; Single-pass type II membrane protein : P28845
• Total number of polymer chains: 4
• Total formula weight: 122696.74

Authors

Goldberg, F.W.,Dossetter, A.G.,Scott, J.S.,Robb, G.R.,Boyd, S.,Groombridge, S.D.,Kemmitt, P.D.,Sjogren, T.,Morentin Gutierrez, P.,de Schoolmeester, J.,Swales, J.G.,Turnbull, A.V.,Wild, M.J. (deposition date: 2013-09-23, release date: 2014-03-05, Last modification date: 2023-12-20)

• Primary citation: Goldberg, F.W.,Dossetter, A.G.,Scott, J.S.,Robb, G.R.,Boyd, S.,Groombridge, S.D.,Kemmitt, P.D.,Sjogren, T.,Gutierrez, P.M.,Deschoolmeester, J.,Swales, J.G.,Turnbull, A.V.,Wild, M.J.; Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice.; J.Med.Chem., 57:970-, 2014; PubMed: 24422550; DOI: 10.1021/JM4016729

Experimental method

X-RAY DIFFRACTION (1.91 Å)