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

Lesburg, C.A. (deposition date: 2019-07-17, release date: 2019-12-04)

• 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; PubMed: 31749906; DOI: 10.1021/acsmedchemlett.9b00344

Experimental method

X-RAY DIFFRACTION (2.43 Å)