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TitleProbing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 13187-13196, Year 2024
Publish dateJul 1, 2024 (structure data deposition date)
AuthorsBeier, A. / Platzer, G. / Hofurthner, T. / Ptaszek, A.L. / Lichtenecker, R.J. / Geist, L. / Fuchs, J.E. / McConnell, D.B. / Mayer, M. / Konrat, R.
External linksJ. Med. Chem. / PubMed:39069741
MethodsX-ray diffraction
Resolution1.25 - 1.88 Å
Structure data

PDB-9fwx:
Crystal structure of BRD4 BD1 with MEN1404BS.
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-9fxp:
Crystal structure of BRD4 BD1 with DI00626383.
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

PDB-1igx:
Crystal Structure of Eicosapentanoic Acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.

ChemComp-HOH:
WATER

ChemComp-5WX:
4-methoxy-1,2-benzoxazol-3-amine

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / lysine-acetylated histone binding / Inhibitor / Bromodomain

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