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Structure paper

TitleDevelopment of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 11022-11034, Year 2019
Publish dateApr 29, 2019 (structure data deposition date)
AuthorsMays, S.G. / Flynn, A.R. / Cornelison, J.L. / Okafor, C.D. / Wang, H. / Wang, G. / Huang, X. / Donaldson, H.N. / Millings, E.J. / Polavarapu, R. ...Mays, S.G. / Flynn, A.R. / Cornelison, J.L. / Okafor, C.D. / Wang, H. / Wang, G. / Huang, X. / Donaldson, H.N. / Millings, E.J. / Polavarapu, R. / Moore, D.D. / Calvert, J.W. / Jui, N.T. / Ortlund, E.A.
External linksJ. Med. Chem. / PubMed:31419141
MethodsX-ray diffraction
Resolution2.004 - 2.23 Å
Structure data

PDB-6oqx:
Human Liver Receptor Homolog-1 bound to the agonist 5N and a fragment of the Tif2 coregulator
Method: X-RAY DIFFRACTION / Resolution: 2.004 Å

PDB-6oqy:
Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-6or1:
Human LRH-1 bound to the agonist 2N and a fragment of the Tif2 coregulator
Method: X-RAY DIFFRACTION / Resolution: 2.174 Å

Chemicals

ChemComp-N1V:
(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate

ChemComp-HOH:
WATER

ChemComp-N2J:
N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide

ChemComp-N27:
N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Nuclear Hormone Receptor / agonist / Nuclear receptor / coactivator

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