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Structure paper

TitleStructural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 56, Page 1007-1011, Year 2017
Publish dateNov 17, 2016 (structure data deposition date)
AuthorsYou, W. / Rotili, D. / Li, T.M. / Kambach, C. / Meleshin, M. / Schutkowski, M. / Chua, K.F. / Mai, A. / Steegborn, C.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:27990725
MethodsX-ray diffraction
Resolution1.87 - 2.1 Å
Structure data

PDB-5mf6:
Human Sirt6 in complex with activator UBCS039
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-5mfp:
Human Sirt6 in complex with activator UBCS58
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5mfz:
Human Sirt6 in complex with small molecule UBCS40
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5mgn:
Human Sirt6 in complex with activator UBCS38
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

Chemicals

ChemComp-AR6:
[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-7M2:
(4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline

ChemComp-HOH:
WATER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-7M5:
4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline

ChemComp-7M9:
1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol

ChemComp-7N2:
(4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline

Source
  • homo sapiens (human)
KeywordsHYDROLASE / 4-(pyridin-3-yl)-4 / 5-dihydropyrrolo[1 / 2-a]quinoxaline / dihydropyrrol / drug / 4-(Pyridin-3-yl)pyrrolo[1 / 1-(4 / 2-a]quinoxalin-4-yl)naphthalen-2-ol / inactive / 4-(Pyridin-3-yl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4

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