3TFQ

Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE

3TFQ の概要

• エントリーDOI: 10.2210/pdb3tfq/pdb
• 関連するPDBエントリー: 3CH6
• 分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, ... (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: 129748.53

構造登録者

Sheriff, S. (登録日: 2011-08-16, 公開日: 2011-11-02, 最終更新日: 2024-04-03)

• 主引用文献: Wu, S.C.,Yoon, D.,Chin, J.,van Kirk, K.,Seethala, R.,Golla, R.,He, B.,Harrity, T.,Kunselman, L.K.,Morgan, N.N.,Ponticiello, R.P.,Taylor, J.R.,Zebo, R.,Harper, T.W.,Li, W.,Wang, M.,Zhang, L.,Sleczka, B.G.,Nayeem, A.,Sheriff, S.,Camac, D.M.,Morin, P.E.,Everlof, J.G.,Li, Y.X.,Ferraro, C.A.,Kieltyka, K.,Shou, W.,Vath, M.B.,Zvyaga, T.A.,Gordon, D.A.,Robl, J.A.; Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1); Bioorg.Med.Chem.Lett., 21:6693-6698, 2011; PubMed: 21983444; DOI: 10.1016/j.bmcl.2011.09.058

実験手法

X-RAY DIFFRACTION (1.8 Å)