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Structure paper

TitleStructure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Journal, issue, pagesAcs Pharmacol Transl Sci, Vol. 5, Page 20-40, Year 2022
Publish dateJul 29, 2021 (structure data deposition date)
AuthorsBresinsky, M. / Strasser, J.M. / Vallaster, B. / Liu, P. / McCue, W.M. / Fuller, J. / Hubmann, A. / Singh, G. / Nelson, K.M. / Cuellar, M.E. ...Bresinsky, M. / Strasser, J.M. / Vallaster, B. / Liu, P. / McCue, W.M. / Fuller, J. / Hubmann, A. / Singh, G. / Nelson, K.M. / Cuellar, M.E. / Wilmot, C.M. / Finzel, B.C. / Ashe, K.H. / Walters, M.A. / Pockes, S.
External linksAcs Pharmacol Transl Sci / PubMed:35059567
MethodsX-ray diffraction
Resolution1.67 - 3.25 Å
Structure data

PDB-7rn7:
Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7rn8:
Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-7rn9:
Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-7rnb:
Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7rnd:
Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7rne:
Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

PDB-7rnf:
Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-7seo:
Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO
Method: X-RAY DIFFRACTION / Resolution: 3.25 Å

Chemicals

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsHydrolase/Hydrolase Inhibitor / HYDROLASE / Hydrolase-Hydrolase Inhibitor complex / APOPTOSIS / protease / inhibitor / covalent

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