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Structure paper

TitlePreclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
Journal, issue, pagesPLoS ONE, Vol. 13, Page e0193380-e0193380, Year 2018
Publish dateJan 19, 2017 (structure data deposition date)
AuthorsBamberg, K. / Johansson, U. / Edman, K. / William-Olsson, L. / Myhre, S. / Gunnarsson, A. / Geschwindner, S. / Aagaard, A. / Bjornson Granqvist, A. / Jaisser, F. ...Bamberg, K. / Johansson, U. / Edman, K. / William-Olsson, L. / Myhre, S. / Gunnarsson, A. / Geschwindner, S. / Aagaard, A. / Bjornson Granqvist, A. / Jaisser, F. / Huang, Y. / Granberg, K.L. / Jansson-Lofmark, R. / Hartleib-Geschwindner, J.
External linksPLoS ONE / PubMed:29474466
MethodsX-ray diffraction
Resolution1.75 - 1.82 Å
Structure data

PDB-5mwp:
The structure of MR in complex with AZD9977.
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-5mwy:
The structure of MR in complex with eplerenone.
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-ECV:
2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide

ChemComp-HOH:
WATER

ChemComp-YNU:
eplerenone / antagonist*YM

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Nuclear Hormone receptor / ligand complex / peptide complex

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