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Structure paper

TitleNovel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 72, Page 753-760, Year 2016
Publish dateNov 13, 2015 (structure data deposition date)
AuthorsCavalier, M.C. / Melville, Z. / Aligholizadeh, E. / Raman, E.P. / Yu, W. / Fang, L. / Alasady, M. / Pierce, A.D. / Wilder, P.T. / MacKerell, A.D. / Weber, D.J.
External linksActa Crystallogr D Struct Biol / PubMed:27303795
MethodsX-ray diffraction
Resolution1.26 - 1.813 Å
Structure data

PDB-5er4:
Crystal Structure of Calcium-loaded S100B bound to SC0025
Method: X-RAY DIFFRACTION / Resolution: 1.813 Å

PDB-5er5:
Crystal Structure of Calcium-loaded S100B bound to SC1990
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-5RL:
6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol / antagonist*YM

ChemComp-HOH:
WATER

ChemComp-ET:
ETHIDIUM

Source
  • bos taurus (domestic cattle)
KeywordsMETAL BINDING PROTEIN/INHIBITOR / malignant melanoma / calcium binding / complex / covalent inhibitor / METAL BINDING PROTEIN-INHIBITOR complex

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