PDB: 220 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
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
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
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
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
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
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
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
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
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
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
8CCW	Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ... Authors: Adolph, R.S, Steegborn, C. Deposit date: 2023-01-27 Release date: 2023-05-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein. Life, 13, 2023
4F4U	The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 Descriptor: NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ZINC ION, ... Authors: Zhou, Y, Hao, Q. Deposit date: 2012-05-11 Release date: 2012-06-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem., 287, 2012
4F56	The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 Descriptor: 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid, NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ... Authors: Zhou, Y, Hao, Q. Deposit date: 2012-05-11 Release date: 2012-06-20 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem., 287, 2012
4FZ3	Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... Authors: Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. Deposit date: 2012-07-06 Release date: 2013-03-20 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate J.Med.Chem., 56, 2013
4FVT	Human SIRT3 bound to Ac-ACS peptide and Carba-NAD Descriptor: Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... Authors: Dai, H. Deposit date: 2012-06-29 Release date: 2012-08-15 Last modified: 2012-09-19 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
4G1C	Human SIRT5 bound to Succ-IDH2 and Carba-NAD Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... Authors: Dai, H. Deposit date: 2012-07-10 Release date: 2012-08-15 Last modified: 2012-09-19 Method: X-RAY DIFFRACTION (1.944 Å) Cite: Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
4HDA	Crystal structure of human Sirt5 in complex with Fluor-de-Lys peptide and resveratrol Descriptor: Fluor-de-Lys peptide, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... Authors: Gertz, M, Steegborn, C. Deposit date: 2012-10-02 Release date: 2012-12-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.601 Å) Cite: A molecular mechanism for direct sirtuin activation by resveratrol. Plos One, 7, 2012
5X16	Sirt6 apo structure Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, TERTIARY-BUTYL ALCOHOL, ... Authors: Zhang, J, Huang, Z, Song, K. Deposit date: 2017-01-24 Release date: 2018-07-04 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Sirt6 apo structure To Be Published
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
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
5Y0Z	Human SIRT2 in complex with a specific inhibitor, NPD11033 Descriptor: (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, NAD-dependent protein deacetylase sirtuin-2, ZINC ION Authors: Kudo, N, Ito, A, Yoshida, M. Deposit date: 2017-07-19 Release date: 2018-07-25 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification of a novel small molecule that inhibits deacetylase but not defatty-acylase reaction catalysed by SIRT2. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
5YQN	Crystal structure of Sirt2 in complex with selective inhibitor L55 Descriptor: DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, 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 (1.6 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

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