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Structure paper

TitleNovel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 3283-, Year 2007
Publish dateSep 29, 2005 (structure data deposition date)
AuthorsReynolds, R.C. / Campbell, S.R. / Fairchild, R.G. / Kisliuk, R.L. / Micca, P.L. / Queener, S.F. / Riordan, J.M. / Sedwick, W.D. / Waud, W.R. / Leung, A.K.W. ...Reynolds, R.C. / Campbell, S.R. / Fairchild, R.G. / Kisliuk, R.L. / Micca, P.L. / Queener, S.F. / Riordan, J.M. / Sedwick, W.D. / Waud, W.R. / Leung, A.K.W. / Dixon, R.W. / Suling, W.J. / Borhani, D.W.
External linksJ. Med. Chem. / PubMed:17569517
MethodsX-ray diffraction
Resolution1.4 - 1.5 Å
Structure data

PDB-2c2s:
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-2c2t:
Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine, a novel boron containing, nonclassical Antifolate
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-34B:
2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-39B:
(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / NONCLASSICAL ANTIFOLATES / LIPOPHILIC ANTIFOLATES / NADP / ONE- CARBON METABOLISM / REDUCTASE

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