4IJV

Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine

Summary for 4IJV

• Entry DOI: 10.2210/pdb4ijv/pdb
• Related: 4IJU 4IJW
• Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine, ... (4 entities in total)
• Functional Keywords: 11b-hsd1, sdr, dehydrogenase, hydroxysteroid, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 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: 129878.27

Authors

Sheriff, S. (deposition date: 2012-12-23, release date: 2014-06-11, Last modification date: 2023-09-20)

• Primary citation: Li, J.,Kennedy, L.J.,Wang, H.,Li, J.J.,Walker, S.J.,Hong, Z.,O'Connor, S.P.,Nayeem, A.,Camac, D.M.,Morin, P.E.,Sheriff, S.,Wang, M.,Harper, T.,Golla, R.,Seethala, R.,Harrity, T.,Ponticiello, R.P.,Morgan, N.N.,Taylor, J.R.,Zebo, R.,Gordon, D.A.,Robl, J.A.; Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).; ACS Med Chem Lett, 5:803-808, 2014; PubMed: 25050169; DOI: 10.1021/ml500144h

Experimental method

X-RAY DIFFRACTION (2.35 Å)