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Structure paper

TitleUnusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Journal, issue, pagesProc. Natl. Acad. Sci. U.S.A., Vol. 114, Page 13459-13464, Year 2017
Publish dateJul 14, 2017 (structure data deposition date)
AuthorsPorter, N.J. / Mahendran, A. / Breslow, R. / Christianson, D.W.
External linksProc. Natl. Acad. Sci. U.S.A. / PubMed:29203661
MethodsX-ray diffraction
Resolution1.05 - 1.822 Å
Structure data

PDB-5wgi:
Ultrahigh resolution crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with TSA
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5wgk:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPB
Method: X-RAY DIFFRACTION / Resolution: 1.822 Å

PDB-5wgl:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ricolinostat (ACY-1215)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5wgm:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-TSN:
TRICHOSTATIN A / antifungal, antibiotic*YM

ChemComp-K:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-IOD:
IODIDE ION

ChemComp-AGJ:
N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide

ChemComp-AH4:
2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

ChemComp-FLC:
CITRATE ANION

ChemComp-AH7:
2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide

ChemComp-PGE:
TRIETHYLENE GLYCOL

Source
  • danio rerio (zebrafish)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / histone deacetylase / hydrolase inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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