Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.

Karim RM, Yang L, Chen L, Bikowitz MJ, Lu J, Grassie D, Shultz ZP, Lopchuk JM, Chen J, Schönbrunn E
J Med Chem 65(5):4182-4200 (2022 Mar 10)

PMID: 35191694 doi: 10.1021/acs.jmedchem.1c01999

Submitted to SASBDB: 2020 Oct 20 Published in SASBDB: 2021 May 29

SASDK52 – TAF1 tandem bromodomain Sample: Transcription initiation factor II D monomer, 31 kDa Escherichia coli protein Buffer: 50 mM HEPES, 5% v/v ethylene glycol, 2.5% v/v DMSO and 2 mM DTT, pH: 7.5 Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2019 Oct 26 RgGuinier 2.6 nm Dmax 7.3 nm VolumePorod 50 nm3

SASDK62 – TAF1 tandem bromodomain with inhibitor AZD6738 Sample: Transcription initiation factor II D monomer, 31 kDa Escherichia coli protein Buffer: 50 mM HEPES, 5% v/v ethylene glycol, 2.5% v/v DMSO and 2 mM DTT, pH: 7.5 Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2019 Oct 19 RgGuinier 2.3 nm Dmax 6.6 nm VolumePorod 44 nm3

SASDK72 – TAF1 tandem bromodomain with inhibitor BAY299 Sample: Transcription initiation factor II D monomer, 31 kDa Escherichia coli protein Buffer: 50 mM HEPES, 5% v/v ethylene glycol, 2.5% v/v DMSO and 2 mM DTT, pH: 7.5 Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2019 Oct 19 RgGuinier 3.6 nm Dmax 12.5 nm VolumePorod 106 nm3