6WPE

HUMAN IDO1 IN COMPLEX WITH COMPOUND 4

Summary for 6WPE

• Entry DOI: 10.2210/pdb6wpe/pdb
• Descriptor: Indoleamine 2,3-dioxygenase 1, 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide (3 entities in total)
• Functional Keywords: indoleamine dioxygenase, heme, inhibitor, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 89588.87

Authors

Lesburg, C.A.,Lammens, A. (deposition date: 2020-04-27, release date: 2021-03-10, Last modification date: 2024-04-03)

• Primary citation: Li, D.,Deng, Y.,Achab, A.,Bharathan, I.,Hopkins, B.A.,Yu, W.,Zhang, H.,Sanyal, S.,Pu, Q.,Zhou, H.,Liu, K.,Lim, J.,Fradera, X.,Lesburg, C.A.,Lammens, A.,Martinot, T.A.,Cohen, R.D.,Doty, A.C.,Ferguson, H.,Nickbarg, E.B.,Cheng, M.,Spacciapoli, P.,Geda, P.,Song, X.,Smotrov, N.,Abeywickrema, P.,Andrews, C.,Chamberlin, C.,Mabrouk, O.,Curran, P.,Richards, M.,Saradjian, P.,Miller, J.R.,Knemeyer, I.,Otte, K.M.,Vincent, S.,Sciammetta, N.,Pasternak, A.,Bennett, D.J.,Han, Y.; Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.; Acs Med.Chem.Lett., 12:389-396, 2021; PubMed: 33738066; DOI: 10.1021/acsmedchemlett.0c00525

Experimental method

X-RAY DIFFRACTION (2.43 Å)