7AH5
Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706
Summary for 7AH5
Entry DOI | 10.2210/pdb7ah5/pdb |
Related | 6R63 7AH4 7AH6 |
Descriptor | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline (3 entities in total) |
Functional Keywords | oxidoreductase, dioxygenase, heme-containing enzyme, structure-based drug design, ido1 inhibitor, triazole, small-molecule inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 97020.46 |
Authors | Roehrig, U.F.,Reynaud, A.,Pojer, F.,Michielin, O.,Zoete, V. (deposition date: 2020-09-24, release date: 2021-02-17, Last modification date: 2024-01-31) |
Primary citation | Rohrig, U.F.,Majjigapu, S.R.,Reynaud, A.,Pojer, F.,Dilek, N.,Reichenbach, P.,Ascencao, K.,Irving, M.,Coukos, G.,Vogel, P.,Michielin, O.,Zoete, V. Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64:2205-2227, 2021 Cited by PubMed: 33557523DOI: 10.1021/acs.jmedchem.0c01968 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.9 Å) |
Structure validation
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