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Structure paper

TitleInhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 15219-15226, Year 2018
Publish dateNov 8, 2017 (structure data deposition date)
AuthorsThomaston, J.L. / Polizzi, N.F. / Konstantinidi, A. / Wang, J. / Kolocouris, A. / DeGrado, W.F.
External linksJ. Am. Chem. Soc. / PubMed:30165017
MethodsX-ray diffraction
Resolution1.995 - 2.634 Å
Structure data

PDB-6bkk:
Influenza A M2 transmembrane domain bound to amantadine
Method: X-RAY DIFFRACTION / Resolution: 1.995 Å

PDB-6bkl:
Influenza A M2 transmembrane domain bound to rimantadine
Method: X-RAY DIFFRACTION / Resolution: 1.995 Å

PDB-6bmz:
Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.634 Å

PDB-6boc:
Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-308:
(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine / medication*YM

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-EU7:
(1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine

ChemComp-RIM:
RIMANTADINE / antivirus*YM

ChemComp-E01:
(1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine

ChemComp-NA:
Unknown entry

Source
  • influenza a virus
KeywordsMEMBRANE PROTEIN / influenza M2 / proton channel / amantadine / rimantadine / spiroadamantane

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