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Structure paper

TitleDynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 2173-2184, Year 2012
Publish dateJul 25, 2011 (structure data deposition date)
AuthorsWoon, E.C. / Demetriades, M. / Bagg, E.A. / Aik, W. / Krylova, S.M. / Ma, J.H. / Chan, M. / Walport, L.J. / Wegman, D.W. / Dack, K.N. ...Woon, E.C. / Demetriades, M. / Bagg, E.A. / Aik, W. / Krylova, S.M. / Ma, J.H. / Chan, M. / Walport, L.J. / Wegman, D.W. / Dack, K.N. / McDonough, M.A. / Krylov, S.N. / Schofield, C.J.
External linksJ. Med. Chem. / PubMed:22263962
MethodsX-ray diffraction
Resolution1.65 - 2.001 Å
Structure data

PDB-3t3y:
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
Method: X-RAY DIFFRACTION / Resolution: 2.001 Å

PDB-3t4h:
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3t4v:
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.732 Å

Chemicals

ChemComp-FE:
Unknown entry

ChemComp-MD6:
N-[(3-hydroxypyridin-2-yl)carbonyl]glycine

ChemComp-HOH:
WATER

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-MD5:
N-(carboxycarbonyl)-S-(3-nitrobenzyl)-L-cysteine

ChemComp-MD3:
N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine

ChemComp-GOL:
GLYCEROL

Source
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Double-stranded beta-helix / Nucleic acid demethylase / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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