8XE7
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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
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2QQG
| Hst2 bound to ADP-HPD, acetyllated histone H4 and nicotinamide | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Histone H4, NAD-dependent deacetylase HST2, ... | Authors: | Marmorstein, R, Sanders, B, Zhao, K, Slama, J. | Deposit date: | 2007-07-26 | Release date: | 2007-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell, 25, 2007
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3U31
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7T1D
| Human SIRT2 in complex with small molecule 359 | Descriptor: | 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ... | Authors: | Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W. | Deposit date: | 2021-12-01 | Release date: | 2023-05-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity. J.Clin.Invest., 133, 2023
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6NR0
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8TGP
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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
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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
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6HOY
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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
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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
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6XV6
| Human Sirt6 3-318 in complex with ADP-ribose | Descriptor: | GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-01-21 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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4F4U
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6XVG
| Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-01-22 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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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
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6XV1
| Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-01-21 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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6ISO
| Human SIRT3 Recognizing H3K4cr | Descriptor: | (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ... | Authors: | Wang, Y, Hao, Q. | Deposit date: | 2018-11-17 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach. Elife, 3, 2014
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6XUY
| Human Sirt6 13-308 in complex with ADP-ribose | Descriptor: | NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, TRIETHYLENE GLYCOL, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-01-21 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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3D4B
| Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+ | Descriptor: | 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ... | Authors: | Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C. | Deposit date: | 2008-05-14 | Release date: | 2008-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into intermediate steps in the Sir2 deacetylation reaction. Structure, 16, 2008
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3D81
| Sir2-S-alkylamidate complex crystal structure | Descriptor: | NAD-dependent deacetylase, S-alkylamidate intermediate, ZINC ION | Authors: | Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C. | Deposit date: | 2008-05-22 | Release date: | 2008-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into intermediate steps in the Sir2 deacetylation reaction. Structure, 16, 2008
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8CNM
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5FYQ
| Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide | Descriptor: | NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ... | Authors: | Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M. | Deposit date: | 2016-03-09 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins. J.Biol.Chem., 291, 2016
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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
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8CNO
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