3QQP

Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor

3QQP の概要

• エントリーDOI: 10.2210/pdb3qqp/pdb
• 分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total)
• 機能のキーワード: 11beta, hydroxysteroid, dehydrogenase, 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: 131570.76

構造登録者

Loenze, P.,Schimanski-Breves, S.,Engel, C.K. (登録日: 2011-02-16, 公開日: 2012-02-22, 最終更新日: 2024-02-21)

主引用文献

Venier, O.,Pascal, C.,Braun, A.,Namane, C.,Mougenot, P.,Crespin, O.,Pacquet, F.,Mougenot, C.,Monseau, C.,Onofri, B.,Dadji-Faihun, R.,Leger, C.,Ben-Hassine, M.,Van-Pham, T.,Ragot, J.L.,Philippo, C.,Gussregen, S.,Engel, C.,Farjot, G.,Noah, L.,Maniani, K.,Nicolai, E.
Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1.
Bioorg.Med.Chem.Lett., 21:2244-2251, 2011

PubMed Abstract: A High Throughput Screening campaign allowed the identification of a novel class of ureas as 11β-HSD1 inhibitors. Rational chemical optimization provided potent and selective inhibitors of both human and murine 11β-HSD1 with an appropriate ADME profile and ex vivo activity in target tissues.

PubMed: 21439819
DOI: 10.1016/j.bmcl.2011.02.111

実験手法

X-RAY DIFFRACTION (2.72 Å)