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Structure paper

TitleDevelopment of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127367-127367, Year 2020
Publish dateJun 12, 2020 (structure data deposition date)
AuthorsClausen, D.J. / Liu, J. / Yu, W. / Duffy, J.L. / Chung, C.C. / Myers, R.W. / Klein, D.J. / Fells, J. / Holloway, K. / Wu, J. ...Clausen, D.J. / Liu, J. / Yu, W. / Duffy, J.L. / Chung, C.C. / Myers, R.W. / Klein, D.J. / Fells, J. / Holloway, K. / Wu, J. / Wu, G. / Howell, B.J. / Barnard, R.J.O. / Kozlowski, J.
External linksBioorg. Med. Chem. Lett. / PubMed:32738976
MethodsX-ray diffraction
Resolution1.5 - 1.701 Å
Structure data

PDB-6xeb:
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-6xec:
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O)
Method: X-RAY DIFFRACTION / Resolution: 1.701 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-CA:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-V1P:
5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-V1S:
(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HISTONE DEACETYLASE / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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