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Structure paper

TitleEarly Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 15, Page 955-960, Year 2020
Publish dateDec 10, 2019 (structure data deposition date)
AuthorsHuhn, A.J. / Gardberg, A.S. / Poy, F. / Brucelle, F. / Vivat, V. / Cantone, N. / Patel, G. / Patel, C. / Cummings, R. / Sims, R. ...Huhn, A.J. / Gardberg, A.S. / Poy, F. / Brucelle, F. / Vivat, V. / Cantone, N. / Patel, G. / Patel, C. / Cummings, R. / Sims, R. / Levell, J. / Audia, J.E. / Bommi-Reddy, A. / Wilson, J.E.
External linksChemmedchem / PubMed:32181984
MethodsX-ray diffraction
Resolution1.84 - 3.13 Å
Structure data

PDB-6v8b:
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
Method: X-RAY DIFFRACTION / Resolution: 3.13 Å

PDB-6v8k:
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6v8n:
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6v90:
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

ChemComp-QRY:
4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-COA:
COENZYME A

ChemComp-QS4:
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-QS1:
(2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide

ChemComp-QSD:
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / epigenetics / chromatin / writer / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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