5PGW
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
5PGW の概要
エントリーDOI | 10.2210/pdb5pgw/pdb |
Group deposition | 11betaHSD1 (G_1002017) |
分子名称 | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, ... (4 entities in total) |
機能のキーワード | 11b-hsd1, sdr, dehydrogenase, hydroxysteroid, inhibitor, oxidoreductase-oxidoreductase inhibi complex, 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 | 130101.13 |
構造登録者 | |
主引用文献 | Ye, X.Y.,Chen, S.Y.,Wu, S.,Yoon, D.S.,Wang, H.,Hong, Z.,O'Connor, S.P.,Li, J.,Li, J.J.,Kennedy, L.J.,Walker, S.J.,Nayeem, A.,Sheriff, S.,Camac, D.M.,Ramamurthy, V.,Morin, P.E.,Zebo, R.,Taylor, J.R.,Morgan, N.N.,Ponticiello, R.P.,Harrity, T.,Apedo, A.,Golla, R.,Seethala, R.,Wang, M.,Harper, T.W.,Sleczka, B.G.,He, B.,Kirby, M.,Leahy, D.K.,Li, J.,Hanson, R.L.,Guo, Z.,Li, Y.X.,DiMarco, J.D.,Scaringe, R.,Maxwell, B.,Moulin, F.,Barrish, J.C.,Gordon, D.A.,Robl, J.A. Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60:4932-4948, 2017 Cited by PubMed: 28537398DOI: 10.1021/acs.jmedchem.7b00211 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.37 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード