7B1O

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

Summary for 7B1O

Entry DOI	10.2210/pdb7b1o/pdb
Descriptor	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)
Functional Keywords	enzyme, immunosuppressant
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	93169.99
Authors	Lammens, A.,Krapp, S.,Lewis, R.T.,Hamilton, M.M. (deposition date: 2020-11-25, release date: 2021-09-29)
Primary citation	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 Cited by PubMed: 34292726 DOI: 10.1021/acs.jmedchem.1c00679 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.58 Å)

Structure validation