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Structure paper

TitleImproved Pharmacokinetic Profiles of HDAC6 Inhibitors via Cap Group Modifications.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 18216-18229, Year 2025
Publish dateNov 20, 2024 (structure data deposition date)
AuthorsOlaoye, O.O. / Erdogan, F. / Gracia-Hernandez, M. / Garcha, H.K. / Sedighi, A. / Ashraf, Q.F. / Nawar, N. / Geletu, M. / Seo, H.S. / Abdallah, D.I. ...Olaoye, O.O. / Erdogan, F. / Gracia-Hernandez, M. / Garcha, H.K. / Sedighi, A. / Ashraf, Q.F. / Nawar, N. / Geletu, M. / Seo, H.S. / Abdallah, D.I. / Abdeldayem, A. / Hassan, M.M. / Dhe-Paganon, S. / de Araujo, E.D. / Villagra, A. / Gunning, P.T.
External linksJ. Med. Chem. / PubMed:40864867
MethodsX-ray diffraction
Resolution1.24 - 1.27 Å
Structure data

PDB-9efc:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-588
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-9efr:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-600
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-9efx:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-584
Method: X-RAY DIFFRACTION / Resolution: 1.262 Å

PDB-9egf:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-589
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-9egu:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-599
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

Chemicals

PDB-1bhy:
LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF P64K FROM MASC DATA

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

PDB-1bhx:
X-RAY STRUCTURE OF THE COMPLEX OF HUMAN ALPHA THROMBIN WITH THE INHIBITOR SDZ 229-357

PDB-1bhw:
LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF XYLOSE ISOMERASE FROM MASC DATA

PDB-1bh8:
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE

PDB-1bh9:
HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS

Source
  • danio rerio (zebrafish)
KeywordsMETAL BINDING PROTEIN / potassium ion binding / alkali metal ion binding / ion binding / cation binding / metal ion binding / catalytic activity / hydrolase activity / deacetylase activity / protein deacetylase activity / acting on a protein / acting on carbon-nitrogen (but not peptide) bonds / in linear amides / tubulin deacetylase activity / zinc ion binding / transition metal ion binding

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