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5YQL	Crystal structure of Sirt2 in complex with selective inhibitor A2I Descriptor: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... Authors: Wang, H, Yu, Y, Li, G, Chen, Q. Deposit date: 2017-11-07 Release date: 2018-10-17 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.601 Å) Cite: X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
5Z94	Crystal Structure of SIRT3 in complex with H3K4bhb peptide Descriptor: CITRIC ACID, GLYCEROL, Gene for histone H3 (germline gene), ... Authors: Zhang, X, Li, H. Deposit date: 2018-02-02 Release date: 2019-02-06 Method: X-RAY DIFFRACTION (1.899 Å) Cite: Crystal Structure of SIRT3 in complex with H3K4bhb peptide To Be Published
5Y5N	Crystal structure of human Sirtuin 2 in complex with a selective inhibitor Descriptor: 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION Authors: Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. Deposit date: 2017-08-09 Release date: 2017-09-06 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site. Chem Sci, 8, 2017
5XHS	Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA Descriptor: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... Authors: Yu, Y, Li, B, Chen, Q. Deposit date: 2017-04-24 Release date: 2018-05-02 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design Rsc Adv, 7, 2017
5ZGC	Crystal Structure of SIRT3 in complex with H4K16bhb peptide Descriptor: Histone H4K16bhb peptide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... Authors: Li, H, Zhang, X. Deposit date: 2018-03-08 Release date: 2019-04-03 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal Structure of SIRT3 in complex with H4K16bhb peptide To be published
8AK5	Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKB	Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol Descriptor: 1,2-ETHANEDIOL, 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKF	Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide Descriptor: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKD	Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine Descriptor: 4-METHYL-HISTIDINE, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK6	Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK9	Human Sirt6 in complex with ADP-ribose and fragment Isatin Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKE	Human Sirt6 in complex with ADP-ribose and fragment nicotinamide Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK8	Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKG	Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide Descriptor: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AK7	Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine Descriptor: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKC	Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid Descriptor: 3-(acetylamino)thiophene-2-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8AKA	Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-07-29 Release date: 2023-08-16 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8BL0	Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose Descriptor: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-11-09 Release date: 2023-11-22 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8BL1	Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose Descriptor: 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2022-11-09 Release date: 2023-11-22 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
2HJH	Crystal Structure of the Sir2 deacetylase Descriptor: (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, NAD-dependent histone deacetylase SIR2, NICOTINAMIDE, ... Authors: Hall, B.E, Ellenberger, T.E. Deposit date: 2006-06-30 Release date: 2008-04-08 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Autoregulation of the yeast Sir2 deacetylase by reaction and trapping of a pseudosubstrate motif in the active site To be Published
4IAO	Crystal structure of Sir2 C543S mutant in complex with SID domain of Sir4 Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent histone deacetylase SIR2, Regulatory protein SIR4, ... Authors: Hsu, H.C, Wang, C.L, Wang, M, Yang, N, Chen, Z, Sternglanz, R, Xu, R.M. Deposit date: 2012-12-07 Release date: 2012-12-26 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.901 Å) Cite: Structural basis for allosteric stimulation of Sir2 activity by Sir4 binding Genes Dev., 27, 2013
8BBK	Crystal structure of human Sirt3 in complex with a fragment of the human AROS protein Descriptor: Active regulator of SIRT1, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... Authors: Steegborn, C, Weiss, S. Deposit date: 2022-10-13 Release date: 2023-08-30 Method: X-RAY DIFFRACTION (3.27 Å) Cite: Molecular Mechanism of Sirtuin 1 Modulation by the AROS Protein. Int J Mol Sci, 23, 2022
8OF4	Nucleosome Bound human SIRT6 (Composite) Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B, ... Authors: Smirnova, E, Bignon, E, Schultz, P, Papai, G, Ben-Shem, A. Deposit date: 2023-03-13 Release date: 2023-08-09 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (2.94 Å) Cite: Binding to nucleosome poises human SIRT6 for histone H3 deacetylation. Elife, 12, 2024
8CCZ	Crystal structure of human Sirt3 in complex with an inhibiting HIV1 Tat-37-59 peptide Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ... Authors: Adolph, R.S, Steegborn, C. Deposit date: 2023-01-28 Release date: 2023-05-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein. Life, 13, 2023
8F86	SIRT6 bound to an H3K9Ac nucleosome Descriptor: DNA (148-MER), Histone H2A type 1, Histone H2B, ... Authors: Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. Deposit date: 2022-11-21 Release date: 2023-04-05 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation. J.Am.Chem.Soc., 145, 2023

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