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Structure paper

TitleX-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Journal, issue, pagesActa Crystallogr. D Biol. Crystallogr., Vol. 68, Page 1041-1050, Year 2012
Publish dateJun 23, 2011 (structure data deposition date)
AuthorsAzevedo, R. / van Zeeland, M. / Raaijmakers, H. / Kazemier, B. / de Vlieg, J. / Oubrie, A.
External linksActa Crystallogr. D Biol. Crystallogr. / PubMed:22868770
MethodsX-ray diffraction
Resolution1.6 - 2.4 Å
Structure data

PDB-3zs5:
Structural basis for kinase selectivity of three clinical p38alpha inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3zsg:
X-ray structure of p38alpha bound to TAK-715
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-3zsh:
X-ray structure of p38alpha bound to SCIO-469
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-3zsi:
X-ray structure of p38alpha bound to VX-745
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-SB2:
4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-T75:
TAK-715

ChemComp-469:
2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

ChemComp-52P:
5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TAK-715 / SCIO-469 / VX-745 / SB-203580

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