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Structure paper

TitleGenomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 117, Page 17195-17203, Year 2020
Publish dateApr 26, 2019 (structure data deposition date)
AuthorsShigdel, U.K. / Lee, S.J. / Sowa, M.E. / Bowman, B.R. / Robison, K. / Zhou, M. / Pua, K.H. / Stiles, D.T. / Blodgett, J.A.V. / Udwary, D.W. ...Shigdel, U.K. / Lee, S.J. / Sowa, M.E. / Bowman, B.R. / Robison, K. / Zhou, M. / Pua, K.H. / Stiles, D.T. / Blodgett, J.A.V. / Udwary, D.W. / Rajczewski, A.T. / Mann, A.S. / Mostafavi, S. / Hardy, T. / Arya, S. / Weng, Z. / Stewart, M. / Kenyon, K. / Morgenstern, J.P. / Pan, E. / Gray, D.C. / Pollock, R.M. / Fry, A.M. / Klausner, R.D. / Townson, S.A. / Verdine, G.L.
External linksProc. Natl. Acad. Sci. USA / PubMed:32606248
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-6oqa:
Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-60Z:
(3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PE8:
3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-MG:
Unknown entry

ChemComp-MLA:
MALONIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / ISOMERASE / FKBP12 / CEP250 / natural product / ternary complex

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