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Structure paper

TitleDiscovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 7146-7159, Year 2019
Publish dateApr 9, 2019 (structure data deposition date)
AuthorsLeaver, D.J. / Cleary, B. / Nguyen, N. / Priebbenow, D.L. / Lagiakos, H.R. / Sanchez, J. / Xue, L. / Huang, F. / Sun, Y. / Mujumdar, P. ...Leaver, D.J. / Cleary, B. / Nguyen, N. / Priebbenow, D.L. / Lagiakos, H.R. / Sanchez, J. / Xue, L. / Huang, F. / Sun, Y. / Mujumdar, P. / Mudududdla, R. / Varghese, S. / Teguh, S. / Charman, S.A. / White, K.L. / Katneni, K. / Cuellar, M. / Strasser, J.M. / Dahlin, J.L. / Walters, M.A. / Street, I.P. / Monahan, B.J. / Jarman, K.E. / Sabroux, H.J. / Falk, H. / Chung, M.C. / Hermans, S.J. / Parker, M.W. / Thomas, T. / Baell, J.B.
External linksJ. Med. Chem. / PubMed:31256587
MethodsX-ray diffraction
Resolution1.7 - 2.03 Å
Structure data

PDB-6oin:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6oio:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6oip:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6oiq:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 63
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6oir:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MQJ:
2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-ML7:
N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

ChemComp-MLS:
2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

ChemComp-MLV:
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

ChemComp-MNJ:
4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Inhibitor / Complex / MYST / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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