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Structure paper

TitleHumanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Journal, issue, pagesAdv Sci, Vol. 12, Page e2404260-e2404260, Year 2025
Publish dateNov 22, 2023 (structure data deposition date)
AuthorsWei, K. / Arlotto, M. / Overhulse, J.M. / Dinh, T.A. / Zhou, Y. / Dupper, N.J. / Yang, J. / Kashemirov, B.A. / Dawi, H. / Garnaud, C. ...Wei, K. / Arlotto, M. / Overhulse, J.M. / Dinh, T.A. / Zhou, Y. / Dupper, N.J. / Yang, J. / Kashemirov, B.A. / Dawi, H. / Garnaud, C. / Bourgine, G. / Mietton, F. / Champleboux, M. / Larabi, A. / Hayat, Y. / Indorato, R.L. / Noirclerc-Savoye, M. / Skoufias, D. / Cornet, M. / Rabut, G. / McKenna, C.E. / Petosa, C. / Govin, J.
External linksAdv Sci / PubMed:39821709
MethodsX-ray diffraction
Resolution1.08 - 2.19 Å
Structure data

PDB-8r6i:
Crystal structure of Candida glabrata Bdf1 bromodomain 1 in the unbound state
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-8r6j:
Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a pyrazole ligand
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-8r6k:
Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a phenyltriazine ligand
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-8r6l:
Crystal structure of Candida glabrata Bdf1 bromodomain 2 in the unbound state
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-8r6m:
Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to I-BET151
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8r6n:
Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to a pyridoindole ligand
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-Y7F:
Unknown entry

ChemComp-SO4:
SULFATE ION


ChemComp, No image

ChemComp-Y78:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-K:
Unknown entry

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-1GH:
7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE


ChemComp, No image

ChemComp-Y7B:
Unknown entry

Source
  • nakaseomyces glabratus (fungus)
KeywordsTRANSCRIPTION / Bromodomain

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