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TitleSelective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 7278-7288, Year 2013
Publish dateAug 21, 2013 (structure data deposition date)
AuthorsHill, P.J. / Abibi, A. / Albert, R. / Andrews, B. / Gagnon, M.M. / Gao, N. / Grebe, T. / Hajec, L.I. / Huang, J. / Livchak, S. ...Hill, P.J. / Abibi, A. / Albert, R. / Andrews, B. / Gagnon, M.M. / Gao, N. / Grebe, T. / Hajec, L.I. / Huang, J. / Livchak, S. / Lahiri, S.D. / McKinney, D.C. / Thresher, J. / Wang, H. / Olivier, N. / Buurman, E.T.
External linksJ. Med. Chem. / PubMed:23981144
MethodsX-ray diffraction
Resolution1.55 - 1.95 Å
Structure data

PDB-4mcb:
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-4mcc:
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4mcd:
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-21W:
N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-21X:
N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

ChemComp-22L:
5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

Source
  • haemophilus influenzae (bacteria)
  • haemophilus influenzae rd kw20 (bacteria)
Keywordstransferase/transferase inhibitor / trefoil / TrmD / SAM / SAH / Sinefungin / HMT / Structural Genomics / trefoil knot / methyl transferase to tRNA / tRNA / transferase-transferase inhibitor complex

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