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Structure paper

TitleNovel Antimycobacterial Compounds Suppress NAD Biogenesis by Targeting a Unique Pocket of NaMN Adenylyltransferase.
Journal, issue, pagesAcs Chem. Biol., Vol. 14, Page 949-958, Year 2019
Publish dateDec 11, 2017 (structure data deposition date)
AuthorsOsterman, A.L. / Rodionova, I. / Li, X. / Sergienko, E. / Ma, C.T. / Catanzaro, A. / Pettigrove, M.E. / Reed, R.W. / Gupta, R. / Rohde, K.H. ...Osterman, A.L. / Rodionova, I. / Li, X. / Sergienko, E. / Ma, C.T. / Catanzaro, A. / Pettigrove, M.E. / Reed, R.W. / Gupta, R. / Rohde, K.H. / Korotkov, K.V. / Sorci, L.
External linksAcs Chem. Biol. / PubMed:30969758
MethodsX-ray diffraction
Resolution1.86 Å
Structure data

PDB-6buv:
Structure of Mycobacterium tuberculosis NadD in complex with inhibitor [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-E9A:
[(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Rossman fold / TRANSFERASE-TRANSFERASE INHIBITOR complex

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