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Structure paper

TitleStructural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Journal, issue, pagesAcs Chem. Biol., Vol. 7, Page 1462-1470, Year 2012
Publish dateAug 9, 2011 (structure data deposition date)
AuthorsZhang, M. / Wang, X.J. / Chen, X. / Bowman, M.E. / Luo, Y. / Noel, J.P. / Ellington, A.D. / Etzkorn, F.A. / Zhang, Y.
External linksAcs Chem. Biol. / PubMed:22670809
MethodsX-ray diffraction
Resolution2.1 - 2.267 Å
Structure data

PDB-3tcz:
Human Pin1 bound to cis peptidomimetic inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3tdb:
Human Pin1 bound to trans peptidomimetic inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.267 Å

Chemicals

ChemComp-R2Z:
N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-3TB:
N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide

Source
  • homo sapiens (human)
KeywordsISOMERASE/Inhibitor / PPIase domain / WW domain / Peptidyl-prolyl isomerase / ISOMERASE-Inhibitor complex

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