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Structure paper

TitleSelective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 9246-9253, Year 2019
Publish dateMar 25, 2019 (structure data deposition date)
AuthorsZhan, W. / Hsu, H.C. / Morgan, T. / Ouellette, T. / Burns-Huang, K. / Hara, R. / Wright, A.G. / Imaeda, T. / Okamoto, R. / Sato, K. ...Zhan, W. / Hsu, H.C. / Morgan, T. / Ouellette, T. / Burns-Huang, K. / Hara, R. / Wright, A.G. / Imaeda, T. / Okamoto, R. / Sato, K. / Michino, M. / Ramjee, M. / Aso, K. / Meinke, P.T. / Foley, M. / Nathan, C.F. / Li, H. / Lin, G.
External linksJ. Med. Chem. / PubMed:31560200
MethodsX-ray diffraction
Resolution2.6 - 2.9 Å
Structure data

PDB-6ocw:
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A85
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-6ocz:
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A86
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-6ode:
Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor B6
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-DMF:
DIMETHYLFORMAMIDE

ChemComp-M6M:
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

ChemComp-M6Y:
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)

ChemComp-M9G:
N-{(2S)-1-({(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide

Source
  • mycobacterium tuberculosis (strain atcc 25618 / h37rv) (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Mycobacterium tuberculosis / proteasome inhibitor / phenylimidazole / HYDROLASE-HYDROLASE INHIBITOR complex

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