PDB: 50 resultsInfo pagesStatus searchChemie searchBIRD

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8G57	Structure of nucleosome-bound Sirtuin 6 deacetylase Descriptor: DNA strand 1, DNA strand 2, Histone H2A type 1-B/E, ... Authors: Chio, U.S, Rechiche, O, Bryll, A.R, Zhu, J, Feldman, J.L, Peterson, C.L, Tan, S, Armache, J.-P. Deposit date: 2023-02-11 Release date: 2023-04-26 Method: ELECTRON MICROSCOPY (3.07 Å) Cite: Cryo-EM structure of the human Sirtuin 6-nucleosome complex. Sci Adv, 9, 2023
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
8CNM	Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose Descriptor: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ... Authors: You, W, Steegborn, C. Deposit date: 2023-02-23 Release date: 2024-03-13 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen 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
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
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
6QCN	Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... Authors: Riemer, S, You, W, Steegborn, C. Deposit date: 2018-12-29 Release date: 2019-12-25 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. Sci Rep, 9, 2019
4R8M	Human SIRT2 crystal structure in complex with BHJH-TM1 Descriptor: BHJH-TM1 peptide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... Authors: Teng, Y.B, Hao, Q, Lin, H.N, Jing, H. Deposit date: 2014-09-02 Release date: 2015-03-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies Sci Rep, 5, 2015
4Y6L	Human SIRT2 in complex with myristoylated peptide (H3K9myr) Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide THR-ALA-ARG-MYK-SER-THR-GLY Authors: Kudo, N, Ito, A, Yoshida, M. Deposit date: 2015-02-13 Release date: 2016-01-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation. Biochemistry, 54, 2015
4Y6Q	Human SIRT2 in complex with 2-O-myristoyl-ADP-ribose Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate Authors: Kudo, N, Ito, A, Yoshida, M. Deposit date: 2015-02-13 Release date: 2016-01-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation. Biochemistry, 54, 2015
4Y6O	Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr) Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide LEU-PRO-LYS-MYK-THR-GLY-GLY Authors: Kudo, N, Ito, A, Yoshida, M. Deposit date: 2015-02-13 Release date: 2016-01-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation. Biochemistry, 54, 2015
6MNL	NMR solution structures of second bromodomain of BRD4 with FOXO3a peptide Descriptor: Bromodomain-containing protein 4, FOXO3a peptide Authors: Zeng, L, Zhou, M.-M. Deposit date: 2018-10-02 Release date: 2018-10-31 Last modified: 2023-11-15 Method: SOLUTION NMR Cite: Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer. Nat Commun, 9, 2018
6IEU	The structure of TRIM66 PHD-Bromo domain with unmodified H3 N terminal peptide Descriptor: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-LYS-SER-THR-GLY, GLYCEROL, Tripartite motif-containing protein 66, ... Authors: Chen, J. Deposit date: 2018-09-17 Release date: 2019-09-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.787 Å) Cite: TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells. Nat Commun, 10, 2019
6IET	The crystal structure of TRIM66 PHD-Bromo domain Descriptor: Tripartite motif-containing protein 66, ZINC ION Authors: Chen, J. Deposit date: 2018-09-17 Release date: 2019-09-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.101 Å) Cite: TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells. Nat Commun, 10, 2019
8CNO	Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: You, W, Steegborn, C. Deposit date: 2023-02-23 Release date: 2024-03-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

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