6PU7
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
Summary for 6PU7
Entry DOI | 10.2210/pdb6pu7/pdb |
Descriptor | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, ... (4 entities in total) |
Functional Keywords | indoleamine, dioxygenase, heme, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 90559.84 |
Authors | |
Primary citation | Zhang, H.,Liu, K.,Pu, Q.,Achab, A.,Ardolino, M.J.,Cheng, M.,Deng, Y.,Doty, A.C.,Ferguson, H.,Fradera, X.,Knemeyer, I.,Kurukulasuriya, R.,Lam, Y.H.,Lesburg, C.A.,Martinot, T.A.,McGowan, M.A.,Miller, J.R.,Otte, K.,Biju, P.J.,Sciammetta, N.,Solban, N.,Yu, W.,Zhou, H.,Wang, X.,Bennett, D.J.,Han, Y. Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy. Acs Med.Chem.Lett., 10:1530-1536, 2019 Cited by PubMed: 31749906DOI: 10.1021/acsmedchemlett.9b00344 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.43 Å) |
Structure validation
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