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Structure paper

TitleProbing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 8723-8733, Year 2015
Publish dateSep 12, 2014 (structure data deposition date)
AuthorsKurbanov, E.K. / Chiu, T.L. / Solberg, J. / Francis, S. / Maize, K.M. / Fernandez, J. / Johnson, R.L. / Hawkinson, J.E. / Walters, M.A. / Finzel, B.C. / Amin, E.A.
External linksJ. Med. Chem. / PubMed:26492514
MethodsX-ray diffraction
Resolution2.1 - 2.8503 Å
Structure data

PDB-4wf6:
Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
Method: X-RAY DIFFRACTION / Resolution: 2.6521 Å

PDB-5d1s:
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5d1t:
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5d1u:
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8503 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-407:
N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-56Q:
N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide

ChemComp-56R:
N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide

ChemComp-56P:
N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide

Source
  • bacillus anthracis (anthrax bacterium)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Anthrax toxin / lethal factor / metalloproteinase / metalloprotease / HYDROLASE-HYDROLASE INHIBITOR complex / structural dynamics / ligand-induced conformational change

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