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Structure paper

TitleDiscovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 14755-14786, Year 2023
Publish dateJul 18, 2023 (structure data deposition date)
AuthorsZhou, X. / Gou, K. / Xu, J. / Jian, L. / Luo, Y. / Li, C. / Guan, X. / Qiu, J. / Zou, J. / Zhang, Y. ...Zhou, X. / Gou, K. / Xu, J. / Jian, L. / Luo, Y. / Li, C. / Guan, X. / Qiu, J. / Zou, J. / Zhang, Y. / Zhong, X. / Zeng, T. / Zhou, Y. / Xiao, Y. / Yang, X. / Chen, W. / Gao, P. / Liu, C. / Tao, L. / Liu, X. / Cen, X. / Chen, Q. / Sun, Q. / Zhao, Y.
External linksJ. Med. Chem. / PubMed:37870434
MethodsX-ray diffraction
Resolution2.48 Å
Structure data

PDB-8k4f:
DHODH in complex with compound A0
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-OG6:
6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione

ChemComp-ACT:
ACETATE ION

ChemComp-CL:
Unknown entry


ChemComp, No image

ChemComp-FJW:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Inhibitor / complex

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