PDB: 220 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
8TGP	Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide Descriptor: H4K16(myristoyl) peptide, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ... Authors: Nicely, N.I, Weiser, B.P. Deposit date: 2023-07-12 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Effects of Dimerization on the Deacylase Activities of Human SIRT2. Biochemistry, 62, 2023
8I2B	Human SIRT6 in complex with inhibitor 7702 Descriptor: N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide, NAD-dependent protein deacylase sirtuin-6, SULFATE ION, ... Authors: Wang, Y. Deposit date: 2023-01-14 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The SIRT6 in complex with inhibitor 7702 To Be Published
8V15	Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol Descriptor: (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... Authors: Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. Deposit date: 2023-11-19 Release date: 2023-12-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
8V2N	Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ... Authors: Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. Deposit date: 2023-11-23 Release date: 2023-12-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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
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
8OWZ	Crystal structure of human Sirt2 in complex with a triazole-based SirReal Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ... Authors: Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M. Deposit date: 2023-04-28 Release date: 2023-11-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem., 66, 2023
8HLY	Crystal structure of SIRT3 in complex with H3K23la peptide Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, GLYCEROL, ... Authors: Zhuming, F, Hao, Q. Deposit date: 2022-12-01 Release date: 2023-09-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification of SIRT3 as an eraser of H4K16la. Iscience, 26, 2023
8HLW	Crystal structure of SIRT3 in complex with H4K16la peptide Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ... Authors: Zhuming, F, Hao, Q. Deposit date: 2022-12-01 Release date: 2023-09-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Identification of SIRT3 as an eraser of H4K16la. Iscience, 26, 2023
7X3P	Crystal structure of human SIRT5 in complex with diazirine inhibitor 9 Descriptor: 5-[[(5~{S})-6-[[(1~{S})-1-(4-hydroxyphenyl)-2-oxidanylidene-2-(prop-2-ynylamino)ethyl]amino]-6-oxidanylidene-5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]hexyl]amino]-5-sulfanylidene-pentanoic acid, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacylase sirtuin-5, ... Authors: Li, G.-B, Deng, J. Deposit date: 2022-03-01 Release date: 2023-09-06 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Crystal structure of human SIRT5 in complex with diazirine inhibitor 9 To Be Published
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
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
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
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
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
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
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
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
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
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
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
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
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

 

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