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Structure paper

TitleDiscovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 66, Page 128726-128726, Year 2022
Publish dateSep 24, 2021 (structure data deposition date)
AuthorsKanada, R. / Kagoshima, Y. / Asano, M. / Suzuki, T. / Murata, T. / Haruta, M. / Takahashi, M. / Ubukata, O. / Hashimoto, K. / Obata, K. ...Kanada, R. / Kagoshima, Y. / Asano, M. / Suzuki, T. / Murata, T. / Haruta, M. / Takahashi, M. / Ubukata, O. / Hashimoto, K. / Obata, K. / Kihara, K. / Kuroha, M. / Banjo, T. / Togashi, N. / Sato, K. / Yamamoto, Y. / Suzuki, K. / Isoyama, T. / Tominaga, Y. / Higuchi, S. / Naito, H.
External linksBioorg. Med. Chem. Lett. / PubMed:35413416
MethodsX-ray diffraction
Resolution2 - 2.3 Å
Structure data

PDB-7vhy:
Crystal structure of EP300 HAT domain in complex with compound (+)-3
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7vhz:
Crystal structure of EP300 HAT domain in complex with compound 7
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7vi0:
Crystal structure of EP300 HAT domain in complex with compound 11
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-6QI:
[(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

ChemComp-HOH:
WATER

ChemComp-6TI:
(2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide

ChemComp-6YI:
(4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / epigenetics / SBDD / Histone acetyltransferase

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