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Structure paper

TitleIdentification of orthosteric inhibitors of MutSbeta ATPase function
Journal, issue, pagesChemrxiv, Year 2024
Publish dateNov 24, 2023 (structure data deposition date)
AuthorsBrace, G. / Tillack, K. / Johnson, P. / Ritzefeld, M. / Schaertl, S. / Frush, E. / Warfield, B. / Ballantyne, G. / Lee, J.-H. / Thieulin-Pardo, G. ...Brace, G. / Tillack, K. / Johnson, P. / Ritzefeld, M. / Schaertl, S. / Frush, E. / Warfield, B. / Ballantyne, G. / Lee, J.-H. / Thieulin-Pardo, G. / Steinbacher, S. / Thomsen, M. / Witte, D. / Finley, M. / Prasad, B. / Monteagudo, E. / Plotnikov, N. / Pacifici, R. / Maillard, M. / Wilkinson, H. / Iyer, R. / Dominguez, C. / Vogt, T. / Felsenfeld, D. / Haque, T.
External linksChemrxiv / Search PubMed
MethodsX-ray diffraction
Resolution2.783 - 2.82 Å
Structure data

PDB-8r7c:
MutSbeta bound to compound CHDI-00915542 in the canonical DNA-mismatch bound form
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

PDB-8r7e:
MutSbeta bound to compound CHDI-00898647 in the canonical DNA-mismatch bound form
Method: X-RAY DIFFRACTION / Resolution: 2.783 Å

Chemicals

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

ChemComp-PGE:
TRIETHYLENE GLYCOL


ChemComp, No image

ChemComp-YKW:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL


ChemComp, No image

ChemComp-YKQ:
Unknown entry

Source
  • homo sapiens (human)
KeywordsDNA BINDING PROTEIN / PROTEROS BIOSTRUCTURES GMBH / DNA mismatch Repair

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