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5EK4

Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue

Summary for 5EK4
Entry DOI10.2210/pdb5ek4/pdb
Related5EK2 5EK3
DescriptorIndoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, ... (4 entities in total)
Functional Keywordsido1, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight92602.14
Authors
Wu, S.Y.,Peng, Y.H.,Wu, J.S. (deposition date: 2015-11-03, release date: 2015-12-23, Last modification date: 2023-11-08)
Primary citationPeng, Y.H.,Ueng, S.H.,Tseng, C.T.,Hung, M.S.,Song, J.S.,Wu, J.S.,Liao, F.Y.,Fan, Y.S.,Wu, M.H.,Hsiao, W.C.,Hsueh, C.C.,Lin, S.Y.,Cheng, C.Y.,Tu, C.H.,Lee, L.C.,Cheng, M.F.,Shia, K.S.,Shih, C.,Wu, S.Y.
Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59:282-293, 2016
Cited by
PubMed: 26642377
DOI: 10.1021/acs.jmedchem.5b01390
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.64 Å)
Structure validation

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