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TitleInteractions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 78, Year 2022
Publish dateJan 29, 2019 (structure data deposition date)
AuthorsBueno, R.V. / Davis, S. / Dawson, A. / Ondachi, P.W. / Carroll, F.I. / Hunter, W.N.
External linksActa Crystallogr. ,Sect. D / Search PubMed
MethodsX-ray diffraction
Resolution2.2 - 2.5 Å
Structure data

PDB-6qkk:
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6qqo:
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6qqp:
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-H92:
4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide

ChemComp-PO4:
PHOSPHATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-OXL:
OXALATE ION

ChemComp-HOH:
WATER

ChemComp-JC8:
6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide

ChemComp-JCW:
2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide

Source
  • aplysia californica (California sea hare)
KeywordsSIGNALING PROTEIN / AChBP / Acetylcholine

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