7M63
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
Summary for 7M63
Entry DOI | 10.2210/pdb7m63/pdb |
Descriptor | Indoleamine 2,3-dioxygenase 1, (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide (2 entities in total) |
Functional Keywords | ido1, inhibitor, enzyme, complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 93422.24 |
Authors | Leonard, P.G.,Cross, J.B. (deposition date: 2021-03-25, release date: 2021-09-01, Last modification date: 2023-10-18) |
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: 34292726DOI: 10.1021/acs.jmedchem.1c00679 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.1 Å) |
Structure validation
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