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TitleSelective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
Journal, issue, pagesJ. Biol. Chem., Vol. 290, Page 762-, Year 2015
Publish dateMay 22, 2014 (structure data deposition date)
AuthorsDeng, G. / Shen, J. / Yin, M. / Mcmanus, J. / Mathieu, M. / Gee, P. / He, T. / Shi, C. / Bedel, O. / Mclean, L.R. ...Deng, G. / Shen, J. / Yin, M. / Mcmanus, J. / Mathieu, M. / Gee, P. / He, T. / Shi, C. / Bedel, O. / Mclean, L.R. / Le-Strat, F. / Zhang, Y. / Marquette, J. / Gao, Q. / Zhang, B. / Rak, A. / Hoffmann, D. / Rooney, E. / Vassort, A. / Englaro, W. / Li, Y. / Patel, V. / Adrian, F. / Gross, S. / Wiederschain, D. / Cheng, H. / Licht, S.
External linksJ. Biol. Chem. / PubMed:25391653
MethodsX-ray diffraction
Resolution1.88 - 2.07 Å
Structure data

PDB-4umx:
IDH1 R132H in complex with cpd 1
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-4umy:
IDH1 R132H in complex with cpd 1
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-VVS:
2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / ISOCITRATE DEHYDROGENASE INHIBITOR

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