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Structure paper

TitleAn autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Journal, issue, pagesNat Commun, Vol. 14, Page 6091-6091, Year 2023
Publish dateOct 31, 2018 (structure data deposition date)
AuthorsCui, G. / Botuyan, M.V. / Drane, P. / Hu, Q. / Bragantini, B. / Thompson, J.R. / Schuller, D.J. / Detappe, A. / Perfetti, M.T. / James, L.I. ...Cui, G. / Botuyan, M.V. / Drane, P. / Hu, Q. / Bragantini, B. / Thompson, J.R. / Schuller, D.J. / Detappe, A. / Perfetti, M.T. / James, L.I. / Frye, S.V. / Chowdhury, D. / Mer, G.
External linksNat Commun / PubMed:37773238
MethodsX-ray diffraction
Resolution1.624 - 3.79 Å
Structure data

PDB-6mxx:
Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC2991
Method: X-RAY DIFFRACTION / Resolution: 2.298 Å

PDB-6mxy:
Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC3351
Method: X-RAY DIFFRACTION / Resolution: 1.624 Å

PDB-6mxz:
Structure of 53BP1 Tudor domains in complex with small molecule UNC3474
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6my0:
Structure of 53BP1 Tandem Tudor domains with E1549P and D1550N mutations
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-8u4u:
Crystal structure of 53BP1 tandem Tudor domain homodimer engineered with two disulfide bridges
Method: X-RAY DIFFRACTION / Resolution: 3.79 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-K6P:
N-[3-(tert-butylamino)propyl]-3-iodobenzamide

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-K6M:
N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide

ChemComp-K6S:
N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / 53BP1 / Tandem Tudor domains / Small molecule inhibitor / DNA damage response / Class switch recombination / Tudor domain / DNA double-strand breaks / SIGNALING PROTEIN / DNA double-strand break repair / non-homologous end joining / homologous recombination / chromatin-binding protein / engineered protein

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