5TA2

Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A

5TA2 の概要

• エントリーDOI: 10.2210/pdb5ta2/pdb
• 関連するPDBエントリー: 5T9U 5T9W 5T9Z 5TA4
• 関連するBIRD辞書のPRD_ID: PRD_002246
• 分子名称: Peptidyl-prolyl cis-trans isomerase A, 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone (3 entities in total)
• 機能のキーワード: cyclophilin inhibitor antiviral hcv, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : P62937
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 18424.98

構造登録者

Appleby, T.C.,Steadman, V.,Pettit, S.,Schmitz, U.,Mackman, R.L.,Schultz, B. (登録日: 2016-09-09, 公開日: 2017-01-25, 最終更新日: 2024-03-06)

• 主引用文献: Steadman, V.A.,Pettit, S.B.,Poullennec, K.G.,Lazarides, L.,Keats, A.J.,Dean, D.K.,Stanway, S.J.,Austin, C.A.,Sanvoisin, J.A.,Watt, G.M.,Fliri, H.G.,Liclican, A.C.,Jin, D.,Wong, M.H.,Leavitt, S.A.,Lee, Y.J.,Tian, Y.,Frey, C.R.,Appleby, T.C.,Schmitz, U.,Jansa, P.,Mackman, R.L.,Schultz, B.E.; Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.; J. Med. Chem., 60:1000-1017, 2017; PubMed: 28075591; DOI: 10.1021/acs.jmedchem.6b01329

実験手法

X-RAY DIFFRACTION (1.48 Å)