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Structure paper

TitleDiscovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 4655-4684, Year 2020
Publish dateMay 9, 2019 (structure data deposition date)
AuthorsPriebbenow, D.L. / Leaver, D.J. / Nguyen, N. / Cleary, B. / Lagiakos, H.R. / Sanchez, J. / Xue, L. / Huang, F. / Sun, Y. / Mujumdar, P. ...Priebbenow, D.L. / Leaver, D.J. / Nguyen, N. / Cleary, B. / 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. / Shackleford, D.M. / Katneni, K. / Cuellar, M. / Strasser, J.M. / Dahlin, J.L. / Walters, M.A. / Street, I.P. / Monahan, B.J. / Jarman, K.E. / Jousset Sabroux, H. / Falk, H. / Chung, M.C. / Hermans, S.J. / Downer, N.L. / Parker, M.W. / Voss, A.K. / Thomas, T. / Baell, J.B.
External linksJ. Med. Chem. / PubMed:32118427
MethodsX-ray diffraction
Resolution1.75 - 2.8 Å
Structure data

PDB-6owh:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6owi:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6pd8:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39
Method: X-RAY DIFFRACTION / Resolution: 2.738 Å

PDB-6pd9:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-6pda:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74
Method: X-RAY DIFFRACTION / Resolution: 2.448 Å

PDB-6pdb:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

PDB-6pdc:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-6pdd:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-6pde:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-6pdf:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-6pdg:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83
Method: X-RAY DIFFRACTION / Resolution: 1.919 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-NBJ:
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide

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

ChemComp-HOH:
WATER

ChemComp-NB7:
N'-[(2-fluorophenyl)sulfonyl]benzohydrazide

ChemComp-NA:
Unknown entry

ChemComp-O9D:
5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide

ChemComp-O9G:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide

ChemComp-SO4:
SULFATE ION

ChemComp-O9J:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide

ChemComp-O9M:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide

ChemComp-O9P:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide

ChemComp-O9S:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide

ChemComp-O9V:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide

ChemComp-O9Y:
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide

ChemComp-O9A:
5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

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

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