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TitleThe crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Journal, issue, pagesStructure, Vol. 20, Page 1704-1714, Year 2012
Publish dateJul 13, 2012 (structure data deposition date)
Authorsde Leon-Boenig, G. / Bowman, K.K. / Feng, J.A. / Crawford, T. / Everett, C. / Franke, Y. / Oh, A. / Stanley, M. / Staben, S.T. / Starovasnik, M.A. ...de Leon-Boenig, G. / Bowman, K.K. / Feng, J.A. / Crawford, T. / Everett, C. / Franke, Y. / Oh, A. / Stanley, M. / Staben, S.T. / Starovasnik, M.A. / Wallweber, H.J. / Wu, J. / Wu, L.C. / Johnson, A.R. / Hymowitz, S.G.
External linksStructure / PubMed:22921830
MethodsX-ray diffraction
Resolution1.642 - 2.9 Å
Structure data

PDB-4g3c:
Crystal structure of apo murine Nf-kappaB inducing kinase (NIK)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-4g3d:
Crystal structure of human NF-kappaB inducing kinase (NIK)
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4g3e:
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4g3f:
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
Method: X-RAY DIFFRACTION / Resolution: 1.642 Å

PDB-4g3g:
Crystal structure of murine NF-kappaB inducing kinase (NIK) V408L bound to a 2-(aminothiazolyl)phenol (cmp3)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

ChemComp-0WC:
(2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

ChemComp-0WB:
3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile

ChemComp-0WA:
4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol

Source
  • mus musculus (house mouse)
  • homo sapiens (human)
KeywordsTRANSFERASE / non-RD kinase / protein serine/threonine kinase / NF-kappaB / MAP3K14 / TRANSFERASE/TRANSFERASE INHIBITOR / Structure-based drug design / TRANSFERASE-TRANSFERASE INHIBITOR complex

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