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Structure paper

TitleInhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Journal, issue, pagesNature, Vol. 560, Page 253-257, Year 2018
Publish dateOct 11, 2017 (structure data deposition date)
AuthorsBaell, J.B. / Leaver, D.J. / Hermans, S.J. / Kelly, G.L. / Brennan, M.S. / Downer, N.L. / Nguyen, N. / Wichmann, J. / McRae, H.M. / Yang, Y. ...Baell, J.B. / Leaver, D.J. / Hermans, S.J. / Kelly, G.L. / Brennan, M.S. / Downer, N.L. / Nguyen, N. / Wichmann, J. / McRae, H.M. / Yang, Y. / Cleary, B. / Lagiakos, H.R. / Mieruszynski, S. / Pacini, G. / Vanyai, H.K. / Bergamasco, M.I. / May, R.E. / Davey, B.K. / Morgan, K.J. / Sealey, A.J. / Wang, B. / Zamudio, N. / Wilcox, S. / Garnham, A.L. / Sheikh, B.N. / Aubrey, B.J. / Doggett, K. / Chung, M.C. / de Silva, M. / Bentley, J. / Pilling, P. / Hattarki, M. / Dolezal, O. / Dennis, M.L. / Falk, H. / Ren, B. / Charman, S.A. / White, K.L. / Rautela, J. / Newbold, A. / Hawkins, E.D. / Johnstone, R.W. / Huntington, N.D. / Peat, T.S. / Heath, J.K. / Strasser, A. / Parker, M.W. / Smyth, G.K. / Street, I.P. / Monahan, B.J. / Voss, A.K. / Thomas, T.
External linksNature / PubMed:30069049
MethodsX-ray diffraction
Resolution1.85003821102 - 2.128 Å
Structure data

PDB-6ba2:
Crystal structure of MYST acetyltransferase domain in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85003821102 Å

PDB-6ba4:
Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor
Method: X-RAY DIFFRACTION / Resolution: 1.949 Å

PDB-6ct2:
MYST histone acetyltransferase KAT6A/B in complex with WM-1119
Method: X-RAY DIFFRACTION / Resolution: 2.128 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-NA:
Unknown entry

ChemComp-7KM:
4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

ChemComp-HOH:
WATER

ChemComp-ACO:
ACETYL COENZYME *A

ChemComp-7L1:
S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate

ChemComp-FCV:
3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide

ChemComp-MG:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / acetyltransferase / inhibitor / complex / MYST / TRANSFERASE/INHIBITOR / lysine acetyltransferases / TRANSFERASE-INHIBITOR complex

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