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Structure paper

TitleKinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 24, Page 4008-4015, Year 2016
Publish dateMar 22, 2016 (structure data deposition date)
AuthorsWagner, F.F. / Weiwer, M. / Steinbacher, S. / Schomburg, A. / Reinemer, P. / Gale, J.P. / Campbell, A.J. / Fisher, S.L. / Zhao, W.N. / Reis, S.A. ...Wagner, F.F. / Weiwer, M. / Steinbacher, S. / Schomburg, A. / Reinemer, P. / Gale, J.P. / Campbell, A.J. / Fisher, S.L. / Zhao, W.N. / Reis, S.A. / Hennig, K.M. / Thomas, M. / Muller, P. / Jefson, M.R. / Fass, D.M. / Haggarty, S.J. / Zhang, Y.L. / Holson, E.B.
External linksBioorg. Med. Chem. / PubMed:27377864
MethodsX-ray diffraction
Resolution1.66 - 1.72 Å
Structure data

PDB-5iwg:
HDAC2 WITH LIGAND BRD4884
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5ix0:
HDAC2 WITH LIGAND BRD7232
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-IWX:
N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide

ChemComp-PG5:
1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-6EZ:
(3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / HDAC HISTONE DEACETYLASE

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