Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	From Pharmacophore to Warhead: NAD + -Targeting Triazoles as Mechanism-Based Sirtuin Inhibitors.
Journal, issue, pages	Angew. Chem. Int. Ed. Engl., Vol. 64, Page e16782-e16782, Year 2025
Publish date	Jul 21, 2025 (structure data deposition date)
Authors	Friedrich, F. / Meleshin, M. / Papenkordt, N. / Gaitzsch, L. / Prucker, I. / Borso, M. / Ruprecht, J. / Vorreiter, C. / Rast, S. / Zhang, L. ...Friedrich, F. / Meleshin, M. / Papenkordt, N. / Gaitzsch, L. / Prucker, I. / Borso, M. / Ruprecht, J. / Vorreiter, C. / Rast, S. / Zhang, L. / Schiedel, M. / Sippl, W. / Imhof, A. / Jessen, H.J. / Einsle, O. / Schutkowski, M. / Jung, M.
External links	Angew. Chem. Int. Ed. Engl. / PubMed:41165483
Methods	X-ray diffraction
Resolution	1.1 - 2.3 Å
Structure data	PDB-9s1z: Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor Mz242 and ADP-ribose Method: X-RAY DIFFRACTION / Resolution: 1.1 Å PDB-9s20: Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor SH10 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9s21: Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor LG023 Method: X-RAY DIFFRACTION / Resolution: 1.55 Å PDB-9s22: Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor LG023 and ADP-ribose Method: X-RAY DIFFRACTION / Resolution: 1.95 Å PDB-9s23: Crystal structure of human SIRT2 in complex with peptide triazole inhibitor OTDi1 Method: X-RAY DIFFRACTION / Resolution: 2.3 Å PDB-9s24: Crystal structure of human SIRT2 in complex with the covalent adduct of peptide triazole inhibitor OTDi1 and ADP-ribose Method: X-RAY DIFFRACTION / Resolution: 2.1 Å PDB-9s25: Crystal structure of human SIRT2 in complex with peptide triazole inhibitor LTDi1 Method: X-RAY DIFFRACTION / Resolution: 2.1 Å PDB-9s26: Crystal structure of human SIRT2 in complex with the covalent adduct of peptide triazole inhibitor LTDi1 and ADP-ribose Method: X-RAY DIFFRACTION / Resolution: 2.3 Å PDB-9s27: Crystal structure of human SIRT3 in complex with the covalent adduct of peptide triazole inhibitor LTDi1 and ADP-ribose Method: X-RAY DIFFRACTION / Resolution: 1.6 Å
Chemicals	PDB-1jk7: CRYSTAL STRUCTURE OF THE TUMOR-PROMOTER OKADAIC ACID BOUND TO PROTEIN PHOSPHATASE-1 ChemComp-BU3: (R,R)-2,3-BUTANEDIOL ChemComp-ZN: Unknown entry ChemComp-HOH: WATER ChemComp-EDO: 1,2-ETHANEDIOL PDB-1jk0: Ribonucleotide reductase Y2Y4 heterodimer PDB-1jk1: Zif268 D20A Mutant Bound to WT DNA Site PDB-1jk2: Zif268 D20A mutant bound to the GCT DNA site PDB-1jk5: Unknown entry PDB-1jk4: DES 1-6 BOVINE NEUROPHYSIN II COMPLEX WITH VASOPRESSIN PDB-1jk3: Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution PDB-1jk8: Crystal structure of a human insulin peptide-HLA-DQ8 complex
Source	homo sapiens (human)
Keywords	HYDROLASE / Sirtuins / Inhibitor / Covalent adduct / Deacetylation / Mechanistic Inhibitor