6KPS

Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36

Summary for 6KPS

• Entry DOI: 10.2210/pdb6kps/pdb
• Related: 6KOF
• Descriptor: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, ... (4 entities in total)
• Functional Keywords: tryptophan catabolism, heme, iron, metal binding, kynurenine, immunity, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 92724.24

Authors

Peng, Y.H.,Wu, S.Y. (deposition date: 2019-08-16, release date: 2020-03-25, Last modification date: 2023-11-22)

• Primary citation: Peng, Y.H.,Liao, F.Y.,Tseng, C.T.,Kuppusamy, R.,Li, A.S.,Chen, C.H.,Fan, Y.S.,Wang, S.Y.,Wu, M.H.,Hsueh, C.C.,Chang, J.Y.,Lee, L.C.,Shih, C.,Shia, K.S.,Yeh, T.K.,Hung, M.S.,Kuo, C.C.,Song, J.S.,Wu, S.Y.,Ueng, S.H.; Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.; J.Med.Chem., 63:1642-1659, 2020; PubMed: 31961685; DOI: 10.1021/acs.jmedchem.9b01549

Experimental method

X-RAY DIFFRACTION (2.249 Å)