4BN4
| Structure of human SIRT3 in complex with ADP-ribose | Descriptor: | 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... | Authors: | Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-05-13 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism Acta Crystallogr.,Sect.D, 69, 2013
|
|
6EQS
| Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{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]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | Authors: | Pannek, M, Steegborn, C. | Deposit date: | 2017-10-15 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6RXK
| Crystal structure of CobB wt in complex with H4K16-Butyryl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6LJK
| |
1YC5
| Sir2-p53 peptide-nicotinamide | Descriptor: | Cellular tumor antigen p53 peptide, NAD-dependent deacetylase, NICOTINAMIDE, ... | Authors: | Avalos, J.L, Bever, M.K, Wolberger, C. | Deposit date: | 2004-12-21 | Release date: | 2005-04-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of sirtuin inhibition by nicotinamide: altering the NAD(+) cosubstrate specificity of a Sir2 enzyme. Mol.Cell, 17, 2005
|
|
4RMH
| Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | 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 (1.42 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
|
|
4RMI
| Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | 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 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
|
|
1M2K
| Sir2 homologue F159A mutant-ADP ribose complex | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION | Authors: | Chang, J, Cho, Y. | Deposit date: | 2002-06-24 | Release date: | 2003-04-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural basis for the NAD-dependent deacetylase mechanism of Sir2 J.BIOL.CHEM., 277, 2002
|
|
5YQO
| Crystal structure of Sirt2 in complex with selective inhibitor L5C | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | 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 (1.483 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
|
|
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
|
|
4X3O
| Sirt2 in complex with a myristoyl peptide | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | Authors: | Wang, Y, Zhang, W.Z, Hao, Q. | Deposit date: | 2014-12-01 | Release date: | 2016-01-13 | Last modified: | 2022-04-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure. Cell Chem Biol, 24, 2017
|
|
1Q1A
| Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide | Descriptor: | 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, HST2 protein, Histone H4, ... | Authors: | Zhao, K, Chai, X, Marmorstein, R. | Deposit date: | 2003-07-18 | Release date: | 2003-11-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-Acetyl ADP ribose and histone peptide. Structure, 11, 2003
|
|
3JR3
| Sir2 bound to acetylated peptide | Descriptor: | Acetylated Peptide, NAD-dependent deacetylase, ZINC ION | Authors: | Hawse, W.F, Wolberger, C. | Deposit date: | 2009-09-08 | Release date: | 2009-09-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based mechanism of ADP-ribosylation by sirtuins. J.Biol.Chem., 284, 2009
|
|
5BWL
| |
3RIY
| |
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
|
|
5OJ7
| |
6RXS
| Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) in complex with H4K16-Acetyl peptide | Descriptor: | GLYCEROL, Histone H4, NAD-dependent protein deacylase, ... | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
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
|
|
4Y6L
| Human SIRT2 in complex with myristoylated peptide (H3K9myr) | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide THR-ALA-ARG-MYK-SER-THR-GLY | 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 (1.6 Å) | Cite: | Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation. Biochemistry, 54, 2015
|
|
6RXJ
| Crystal structure of CobB wt in complex with H4K16-Acetyl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
4Y6O
| |
5YQL
| Crystal structure of Sirt2 in complex with selective inhibitor A2I | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, 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 (1.601 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
|
|
3ZGO
| |
5D7O
| Crystal structure of Sirt2-ADPR at an improved resolution | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-08-14 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
|
|