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Structure paper

TitleCovalent inhibition of NSD1 histone methyltransferase.
Journal, issue, pagesNat. Chem. Biol., Vol. 16, Page 1403-1410, Year 2020
Publish dateAug 18, 2019 (structure data deposition date)
AuthorsHuang, H. / Howard, C.A. / Zari, S. / Cho, H.J. / Shukla, S. / Li, H. / Ndoj, J. / Gonzalez-Alonso, P. / Nikolaidis, C. / Abbott, J. ...Huang, H. / Howard, C.A. / Zari, S. / Cho, H.J. / Shukla, S. / Li, H. / Ndoj, J. / Gonzalez-Alonso, P. / Nikolaidis, C. / Abbott, J. / Rogawski, D.S. / Potopnyk, M.A. / Kempinska, K. / Miao, H. / Purohit, T. / Henderson, A. / Mapp, A. / Sulis, M.L. / Ferrando, A. / Grembecka, J. / Cierpicki, T.
External linksNat. Chem. Biol. / PubMed:32868895
MethodsX-ray diffraction
Resolution1.8 - 2.4 Å
Structure data

PDB-6kqp:
NSD1 SET domain in complex with SAM
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6kqq:
NSD1 SET domain in complex with BT3 and SAM
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-DQL:
2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol

ChemComp-DW9:
2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol

ChemComp-CA:
Unknown entry

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / histone-methyltransferase / SAM complex / SAM / Inhibitor complex

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