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Structure paper

TitleDiscovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 2779-2783, Year 2016
Publish dateApr 19, 2016 (structure data deposition date)
AuthorsMcBride, C. / Cheruvallath, Z. / Komandla, M. / Tang, M. / Farrell, P. / Lawson, J.D. / Vanderpool, D. / Wu, Y. / Dougan, D.R. / Plonowski, A. ...McBride, C. / Cheruvallath, Z. / Komandla, M. / Tang, M. / Farrell, P. / Lawson, J.D. / Vanderpool, D. / Wu, Y. / Dougan, D.R. / Plonowski, A. / Holub, C. / Larson, C.
External linksBioorg. Med. Chem. Lett. / PubMed:27136719
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-5jfr:
Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-MN:
Unknown entry

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-6KP:
7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole

ChemComp-HOH:
WATER

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

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