7E0T
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36)
Summary for 7E0T
Entry DOI | 10.2210/pdb7e0t/pdb |
Descriptor | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ... (4 entities in total) |
Functional Keywords | indoleamine 2, 3-dioxygenase 1, oxidoreductase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 90102.91 |
Authors | Li, G.-B.,Ning, X.-L. (deposition date: 2021-01-28, release date: 2021-07-21, Last modification date: 2023-11-29) |
Primary citation | Ning, X.L.,Li, Y.Z.,Huo, C.,Deng, J.,Gao, C.,Zhu, K.R.,Wang, M.,Wu, Y.X.,Yu, J.L.,Ren, Y.L.,Luo, Z.Y.,Li, G.,Chen, Y.,Wang, S.Y.,Peng, C.,Yang, L.L.,Wang, Z.Y.,Wu, Y.,Qian, S.,Li, G.B. X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64:8303-8332, 2021 Cited by PubMed: 34110158DOI: 10.1021/acs.jmedchem.1c00303 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.137 Å) |
Structure validation
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