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Structure paper

TitleHumanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors with Antifungal Potential against invasive Candida infection
Journal, issue, pagesAdvanced Science, Year 2024
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 linksSearch PubMed
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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