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TitleSerendipitous and Systematic Chemoproteomic Discovery of MBLAC2, HINT1, and NME1-4 Inhibitors from Histone Deacetylase-Targeting Pharmacophores.
Journal, issue, pagesAcs Chem. Biol., Vol. 20, Page 1247-1257, Year 2025
Publish dateOct 2, 2024 (structure data deposition date)
AuthorsLechner, S. / Sha, S. / Sethiya, J.P. / Szczupak, P. / Dolot, R. / Lomada, S. / Sakhteman, A. / Tushaus, J. / Prokofeva, P. / Krauss, M. ...Lechner, S. / Sha, S. / Sethiya, J.P. / Szczupak, P. / Dolot, R. / Lomada, S. / Sakhteman, A. / Tushaus, J. / Prokofeva, P. / Krauss, M. / Breu, F. / Vogerl, K. / Morgenstern, M. / Hrabe de Angelis, M. / Haucke, V. / Wieland, T. / Wagner, C. / Medard, G. / Bracher, F. / Kuster, B.
External linksAcs Chem. Biol. / PubMed:40340313
MethodsX-ray diffraction
Resolution1.801 - 2.001 Å
Structure data

PDB-9gyp:
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with KV24
Method: X-RAY DIFFRACTION / Resolution: 1.801 Å

PDB-9gyq:
Crystal structure of human Histidine Triad Nucleotide-Binding Protein 1 in complex with KV30
Method: X-RAY DIFFRACTION / Resolution: 2.001 Å

Chemicals

PDB-1iqu:
Crystal structure of photolyase-thymine complex

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

PDB-1iqv:
Crystal Structure Analysis of the archaebacterial ribosomal protein S7

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ligand binding / histidine triad / nucleotide binding / HIT protein

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