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Structure paper

TitleHarnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Journal, issue, pagesNat Commun, Vol. 10, Page 4275-4275, Year 2019
Publish dateMay 3, 2015 (structure data deposition date)
AuthorsJuvvadi, P.R. / Fox 3rd, D. / Bobay, B.G. / Hoy, M.J. / Gobeil, S.M.C. / Venters, R.A. / Chang, Z. / Lin, J.J. / Averette, A.F. / Cole, D.C. ...Juvvadi, P.R. / Fox 3rd, D. / Bobay, B.G. / Hoy, M.J. / Gobeil, S.M.C. / Venters, R.A. / Chang, Z. / Lin, J.J. / Averette, A.F. / Cole, D.C. / Barrington, B.C. / Wheaton, J.D. / Ciofani, M. / Trzoss, M. / Li, X. / Lee, S.C. / Chen, Y.L. / Mutz, M. / Spicer, L.D. / Schumacher, M.A. / Heitman, J. / Steinbach, W.J.
External linksNat Commun / PubMed:31537789
MethodsX-ray diffraction
Resolution1.85 - 3.3 Å
Structure data

PDB-5b8i:
Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-6tz6:
Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-6tz7:
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6tz8:
Crystal structure of Cryptococcus neoformans Calceineurin A, Calcineurin B, and FKBP12 with FK-506
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FE:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CA:
Unknown entry

ChemComp-FK5:
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN / medication*YM

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

ChemComp-SO4:
SULFATE ION

Source
  • coccidioides immitis (strain rs) (fungus)
  • candida albicans (strain wo-1) (yeast)
  • candida albicans (strain sc5314 / atcc mya-2876) (yeast)
  • neosartorya fumigata (strain atcc mya-4609 / af293 / cbs 101355 / fgsc a1100) (mold)
  • cryptococcus neoformans var. grubii serotype a (strain h99 / atcc 208821 / cbs 10515 / fgsc 9487) (fungus)
KeywordsHYDROLASE / SSGCID / NIH / NIAID / SBRI / UW / BERYLLIUM / PHOSPHATASE / CALCINEURIN / FKBP12 / FK506 / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / Hydrolase/Isomerase/Calcium Binding / antifungal / Hydrolase-Isomerase-Calcium Binding complex / Calcineurin A / CnA / CnB / FK-506

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