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Structure paper

TitleSelectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 142, Page 11772-11783, Year 2020
Publish dateFeb 4, 2019 (structure data deposition date)
AuthorsWolter, M. / de Vink, P. / Neves, J.F. / Srdanovic, S. / Higuchi, Y. / Kato, N. / Wilson, A. / Landrieu, I. / Brunsveld, L. / Ottmann, C.
External linksJ. Am. Chem. Soc. / PubMed:32501683
MethodsX-ray diffraction
Resolution1.13 - 1.25 Å
Structure data

PDB-6nv2:
14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005
Method: X-RAY DIFFRACTION / Resolution: 1.13 Å

PDB-6qhl:
14-3-3 sigma with RelA/p65 binding site pS45
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-6qhm:
14-3-3 sigma with RelA/p65 binding site pS281
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-0V4:
(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN / fusicoccanes / natural products / p65 / 1433 / SIGNALING PROTEIN / 14-3-3 / 14-3-3 sigma / RelA

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