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Structure paper

TitleStructure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 10230-10245, Year 2021
Publish dateNov 23, 2020 (structure data deposition date)
AuthorsKlein, M. / Busch, M. / Friese-Hamim, M. / Crosignani, S. / Fuchss, T. / Musil, D. / Rohdich, F. / Sanderson, M.P. / Seenisamy, J. / Walter-Bausch, G. ...Klein, M. / Busch, M. / Friese-Hamim, M. / Crosignani, S. / Fuchss, T. / Musil, D. / Rohdich, F. / Sanderson, M.P. / Seenisamy, J. / Walter-Bausch, G. / Zanelli, U. / Hewitt, P. / Esdar, C. / Schadt, O.
External linksJ. Med. Chem. / PubMed:34228444
MethodsX-ray diffraction
Resolution2.43 Å
Structure data

PDB-7b12:
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-NA:
Unknown entry

ChemComp-SKN:
((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / MULTICATALYTIC PROTEINASE / 20S PROTEASOME / PROTEASE / HYDROLASE

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