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Structure paper

TitleIdentification of methotrexate as an inhibitor of macrophage migration inhibitory factor by high-resolution crystal structure analysis
Journal, issue, pagesTo Be Published
Publish dateMay 18, 2022 (structure data deposition date)
AuthorsSugishima, K. / Kariya, Y. / Ezawa, T. / Nagatoishi, S. / Tsumoto, K. / Shigeta, Y. / Noguchi, K. / Yohda, M. / Odaka, M. / Wakui, H. / Matsumura, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.28 - 1.3 Å
Structure data

PDB-7xtx:
High resolution crystal structure of human macrophage migration inhibitory factor in complex with methotrexate
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-8imr:
Structure of ligand-free human macrophage migration inhibitory factor
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-MT1:
N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID / chemotherapy*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCYTOKINE/INHIBITOR / methotrexate / cytokine-inhibitor complex / CYTOKINE

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