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Structure paper

TitleMacrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 6262-6272, Year 2021
Publish dateApr 22, 2020 (structure data deposition date)
AuthorsZhang, H. / Hsu, H.C. / Kahne, S.C. / Hara, R. / Zhan, W. / Jiang, X. / Burns-Huang, K. / Ouellette, T. / Imaeda, T. / Okamoto, R. ...Zhang, H. / Hsu, H.C. / Kahne, S.C. / Hara, R. / Zhan, W. / Jiang, X. / Burns-Huang, K. / Ouellette, T. / Imaeda, T. / Okamoto, R. / Kawasaki, M. / Michino, M. / Wong, T.T. / Toita, A. / Yukawa, T. / Moraca, F. / Vendome, J. / Saha, P. / Sato, K. / Aso, K. / Ginn, J. / Meinke, P.T. / Foley, M. / Nathan, C.F. / Darwin, K.H. / Li, H. / Lin, G.
External linksJ. Med. Chem. / PubMed:33949190
MethodsX-ray diffraction
Resolution2.28 Å
Structure data

PDB-6wnk:
Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

Chemicals

ChemComp-U5Y:
(12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide

ChemComp-CIT:
CITRIC ACID

ChemComp-DMF:
DIMETHYLFORMAMIDE

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Mycobacterium tuberculosis / proteasome inhibitor / Macrocyclic peptides / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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