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Structure paper

TitleDiscovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 2774-2778, Year 2016
Publish dateApr 21, 2016 (structure data deposition date)
AuthorsCheruvallath, Z. / Tang, M. / McBride, C. / Komandla, M. / Miura, J. / Ton-Nu, T. / Erikson, P. / Feng, J. / Farrell, P. / Lawson, J.D. ...Cheruvallath, Z. / Tang, M. / McBride, C. / Komandla, M. / Miura, J. / Ton-Nu, T. / Erikson, P. / Feng, J. / Farrell, P. / Lawson, J.D. / Vanderpool, D. / Wu, Y. / Dougan, D.R. / Plonowski, A. / Holub, C. / Larson, C.
External linksBioorg. Med. Chem. Lett. / PubMed:27155900
MethodsX-ray diffraction
Resolution1.8 - 2.15 Å
Structure data

PDB-5jhu:
Potent, Reversible MetAP2 Inhibitors via FBDD
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5ji6:
Potent, Reversible MetAP2 Inhibitors via FBDD
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-6KO:
[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-6KN:
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / Hydrolase / peptidase / metal ion binding / proteolysis / Hydrolase-Hydrolase Inhibitor complex / Hydrolase4/Hydrolase Inhibitor / Hydrolase4-Hydrolase Inhibitor complex

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