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Structure paper

TitleIdentification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening
Journal, issue, pagesTo be Published
Publish dateSep 18, 2013 (structure data deposition date)
AuthorsNakanishi, I. / Murata, K. / Nagata, N. / Kurono, M. / Kinoshita, T. / Yasue, M. / Miyazaki, T. / Hirasawa, A. / Tsujimoto, G. / Kitaura, K.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.995 - 2.9 Å
Structure data

PDB-3wik:
Crystal structure of the CK2alpha/compound10 complex
Method: X-RAY DIFFRACTION / Resolution: 1.995 Å

PDB-3wil:
Crystal structure of the CK2alpha/compound3 complex
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-LCT:
N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide

ChemComp-HOH:
WATER

ChemComp-LCD:
{[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TRANSFERASE/TRANSFERASE INHIBITOR / Kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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