5H4D
| Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 7-AMINO-4-METHYL-CHROMEN-2-ONE, ARG-HIS-LYS, ... | Authors: | Zhang, S, Fu, L, Liu, J, Liu, B. | Deposit date: | 2016-10-31 | Release date: | 2017-11-08 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride To Be Published
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2B4Y
| Crystal Structure of Human Sirtuin homolog 5 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-5, ... | Authors: | Min, J.R, Antoshenko, T, Dong, A, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-27 | Release date: | 2006-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Sirtuin homolog 5 in complex with NAD To be Published
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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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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: | 2023-10-25 | 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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6HOY
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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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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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8TGP
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4L3O
| Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Yamagata, K, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-06-06 | Release date: | 2014-02-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.518 Å) | Cite: | Structural Basis for Potent Inhibition of SIRT2 Deacetylase by a Macrocyclic Peptide Inducing Dynamic Structural Change Structure, 22, 2013
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4KXQ
| Structure of NAD-dependent protein deacetylase sirtuin-1 (closed state, 1.85 A) | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, BETA-MERCAPTOETHANOL, GLYCEROL, ... | Authors: | Davenport, A.M, Huber, F.M, Hoelz, A. | Deposit date: | 2013-05-27 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Structural and Functional Analysis of Human SIRT1. J.Mol.Biol., 426, 2014
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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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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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6ZU4
| Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin | Descriptor: | (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-07-21 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin. Acs Med.Chem.Lett., 11, 2020
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7BOT
| Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 | Descriptor: | N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration. Rsc Chem Biol, 2, 2021
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7BOS
| Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 | Descriptor: | Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ... | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration. Rsc Chem Biol, 2, 2021
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4O8Z
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7CL0
| Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7CL1
| Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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1SZD
| Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhao, K, Harshaw, R, Chai, X, Marmorstein, R. | Deposit date: | 2004-04-05 | Release date: | 2004-06-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1SZC
| Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhao, K, Harshaw, R, Chai, X, Marmorstein, R. | Deposit date: | 2004-04-05 | Release date: | 2004-06-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases. Proc.Natl.Acad.Sci.Usa, 101, 2004
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5OJN
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5OL0
| Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide | Descriptor: | Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION | Authors: | Ronin, C, Ciesielski, F, Ciapetti, P. | Deposit date: | 2017-07-26 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design. PLoS ONE, 13, 2018
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5OJ7
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5OJO
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