7B1O

Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22

7B1O の概要

• エントリーDOI: 10.2210/pdb7b1o/pdb
• 分子名称: Indoleamine 2,3-dioxygenase 1, 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (3 entities in total)
• 機能のキーワード: enzyme, immunosuppressant
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 93169.99

構造登録者

Lammens, A.,Krapp, S.,Lewis, R.T.,Hamilton, M.M. (登録日: 2020-11-25, 公開日: 2021-09-29)

• 主引用文献: Hamilton, M.M.,Mseeh, F.,McAfoos, T.J.,Leonard, P.G.,Reyna, N.J.,Harris, A.L.,Xu, A.,Han, M.,Soth, M.J.,Czako, B.,Theroff, J.P.,Mandal, P.K.,Burke, J.P.,Virgin-Downey, B.,Petrocchi, A.,Pfaffinger, D.,Rogers, N.E.,Parker, C.A.,Yu, S.S.,Jiang, Y.,Krapp, S.,Lammens, A.,Trevitt, G.,Tremblay, M.R.,Mikule, K.,Wilcoxen, K.,Cross, J.B.,Jones, P.,Marszalek, J.R.,Lewis, R.T.; Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.; J.Med.Chem., 64:11302-11329, 2021; PubMed: 34292726; DOI: 10.1021/acs.jmedchem.1c00679

実験手法

X-RAY DIFFRACTION (2.58 Å)