4IJU

Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with (1S,4S)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol

4IJU の概要

• エントリーDOI: 10.2210/pdb4iju/pdb
• 関連するPDBエントリー: 4IJV 4IJW
• 分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol, ... (5 entities in total)
• 機能のキーワード: 11b-hsd1, sdr, dehydrogenase, hydroxysteroid, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane; Single-pass type II membrane protein: P28845
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 129787.37

構造登録者

Sheriff, S. (登録日: 2012-12-23, 公開日: 2014-06-11, 最終更新日: 2023-09-20)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.35 Å)