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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1ICI
 | | CRYSTAL STRUCTURE OF A SIR2 HOMOLOG-NAD COMPLEX | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRANSCRIPTIONAL REGULATORY PROTEIN, SIR2 FAMILY, ... | | Authors: | Min, J, Landry, J, Sternglanz, R, Xu, R.-M. | | Deposit date: | 2001-04-01 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a SIR2 homolog-NAD complex.
Cell(Cambridge,Mass.), 105, 2001
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1J8F
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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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4O8Z
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6NR0
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6HOY
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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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9CBT
 | | Crystal structure of human sirtuin 3 fragment (residues 118-399) bound to intermediates from reaction with NAD and inhibitor NH6-10 | | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-6-[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-6-oxidanyl-2-tridecyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]-1-oxidanylidene-1-[2-(triethyl-$l^{4}-azanyl)ethylamino]hexan-2-yl]carbamate, 2-{[(2S)-6-[(Z)-(1-{[(2R,3R,4R,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxy-2-sulfanyloxolan-3-yl]oxy}tetradecylidene)amino]-2-{[(benzyloxy)carbonyl]amino}hexanoyl]amino}-N,N,N-triethylethan-1-aminium (non-preferred name), NAD-dependent protein deacetylase sirtuin-3, ... | | Authors: | Fenwick, M.K, Young, H.J, Lin, H. | | Deposit date: | 2024-06-20 | | Release date: | 2024-08-07 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Mitochondria-Targeting SIRT3 Inhibitor with Activity against Diffuse Large B Cell Lymphoma.
J.Med.Chem., 67, 2024
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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: | 2024-11-06 | | 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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1Q17
 | | Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, HST2 protein, ... | | Authors: | Zhao, K, Chai, X, Marmorstein, R. | | Deposit date: | 2003-07-18 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Yeast Hst2 Protein Deacetylase in Ternary Complex with 2'-O-Acetyl
ADP Ribose and Histone Peptide.
Structure, 11, 2003
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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
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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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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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies
Sci Rep, 5, 2015
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5G4C
 | | Human SIRT2 catalyse short chain fatty acyl lysine | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ... | | Authors: | Wang, Y. | | Deposit date: | 2016-05-09 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones.
J. Am. Chem. Soc., 138, 2016
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1Q14
 | | Structure and autoregulation of the yeast Hst2 homolog of Sir2 | | Descriptor: | CHLORIDE ION, HST2 protein, ZINC ION | | Authors: | Zhao, K, Chai, X, Clements, A, Marmorstein, R. | | Deposit date: | 2003-07-18 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and autoregulation of the Yeast Hst2 homolog of Sir2
Nat.Struct.Biol., 10, 2003
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4Y6O
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8V5U
 | | Human SIRT3 bound to p53-AMC peptide and Honokiol | | Descriptor: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | | 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: | 2023-12-01 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Computationally Driven Discovery and Characterization of SIRT3-Activating Compounds that Fully Recover Catalytic Activity under ${mathrm{NAD}}^{+}$ Depletion
Phys. Rev. X, 14, 2024
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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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
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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: | 2024-11-20 | | 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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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
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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: | 2024-10-16 | | 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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8XE7
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7F4E
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