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Structure paper

TitleFlexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 68, Page 860-866, Year 2012
Publish dateNov 15, 2011 (structure data deposition date)
AuthorsParker, L.J. / Watanabe, H. / Tsuganezawa, K. / Tomabechi, Y. / Handa, N. / Shirouzu, M. / Yuki, H. / Honma, T. / Ogawa, N. / Nagano, T. ...Parker, L.J. / Watanabe, H. / Tsuganezawa, K. / Tomabechi, Y. / Handa, N. / Shirouzu, M. / Yuki, H. / Honma, T. / Ogawa, N. / Nagano, T. / Yokoyama, S. / Tanaka, A.
External linksActa Crystallogr. ,Sect. F / PubMed:22869110
MethodsX-ray diffraction
Resolution2.55 - 2.801 Å
Structure data

PDB-3umx:
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-4enx:
Crystal Structure of Pim-1 Kinase in complex with inhibitor (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-nitrobenzylidene)thiazolidin-4-one
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4eny:
Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one
Method: X-RAY DIFFRACTION / Resolution: 2.801 Å

Chemicals

ChemComp-Q18:
(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

ChemComp-Z20:
(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-J19:
(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Pim-1 / kinase / P-loop / kinase inhibitor / rational drug design / TRANSFERASE-INHIBITOR complex / Pim-1 kinase

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