4PK6

Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative

Summary for 4PK6

Entry DOI	10.2210/pdb4pk6/pdb
Related	4PK5
Descriptor	Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (3 entities in total)
Functional Keywords	indoleamine 2, 3-dioxygenagse 1, induced fit, structure based drug discovery, imidazothiazole, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm, cytosol : P14902
Total number of polymer chains	2
Total formula weight	97135.92
Authors	Kohno, T.,Tojo, S.,Ishii, T.,Kamioka, S. (deposition date: 2014-05-13, release date: 2014-09-03, Last modification date: 2017-10-04)
Primary citation	Tojo, S.,Kohno, T.,Tanaka, T.,Kamioka, S.,Ota, Y.,Ishii, T.,Kamimoto, K.,Asano, S.,Isobe, Y. Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5:1119-1123, 2014 Cited by PubMed: 25313323 DOI: 10.1021/ml500247w PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.45 Å)

Structure validation