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TitleA ligand discovery toolbox for the WWE domain family of human E3 ligases.
Journal, issue, pagesCommun Biol, Vol. 7, Page 901-901, Year 2024
Publish dateNov 17, 2023 (structure data deposition date)
AuthorsMunzker, L. / Kimani, S.W. / Fowkes, M.M. / Dong, A. / Zheng, H. / Li, Y. / Dasovich, M. / Zak, K.M. / Leung, A.K.L. / Elkins, J.M. ...Munzker, L. / Kimani, S.W. / Fowkes, M.M. / Dong, A. / Zheng, H. / Li, Y. / Dasovich, M. / Zak, K.M. / Leung, A.K.L. / Elkins, J.M. / Kessler, D. / Arrowsmith, C.H. / Halabelian, L. / Bottcher, J.
External linksCommun Biol / PubMed:39048679
MethodsX-ray diffraction
Resolution1.31 - 2.5 Å
Structure data

PDB-8r5n:
DTX1 WWE domain in complex with ATP
Method: X-RAY DIFFRACTION / Resolution: 1.812 Å

PDB-8r6a:
DTX1 WWE domain in complex with ADP bound to WWE1
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-8r6b:
DTX1 WWE domain in complex with ADP bound to WWE2
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8r7o:
HUWE1 WWE domain in complex with 2'F-ATP
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-8rd0:
HUWE1 WWE domain in complex with compound 3
Method: X-RAY DIFFRACTION / Resolution: 1.765 Å

PDB-8rd1:
HUWE1 WWE domain in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.896 Å

PDB-8rd7:
HUWE1 WWE domain in complex with ADP-ribose
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

Chemicals

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-CL:
Unknown entry


ChemComp, No image

ChemComp-YGC:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-51X:
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid


ChemComp, No image

ChemComp-YP2:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-AR6:
[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL

Source
  • homo sapiens (human)
KeywordsLIGASE / WWE domain / E3 Ligase / Nucleotide / ADP / Complex

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