PDB: 220 resultsInfo pagesStatus searchChemie searchBIRD

---

5MF6	Human Sirt6 in complex with activator UBCS039 Descriptor: (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... Authors: Steegborn, C, You, W, Kambach, C. Deposit date: 2016-11-17 Release date: 2016-12-28 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. Angew. Chem. Int. Ed. Engl., 56, 2017
5MGN	Human Sirt6 in complex with activator UBCS38 Descriptor: (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... Authors: Steegborn, C, You, W, Kambach, C. Deposit date: 2016-11-21 Release date: 2016-12-28 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. Angew. Chem. Int. Ed. Engl., 56, 2017
6FKZ	Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-CPS1 peptide Descriptor: 3(R)-(phenylthio)succinyl-CPS1 peptide, 3(S)-(phenylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Pannek, M, Steegborn, C. Deposit date: 2018-01-25 Release date: 2018-05-16 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Potent and Selective Inhibitors of Human Sirtuin 5. J. Med. Chem., 61, 2018
5MFZ	Human Sirt6 in complex with small molecule UBCS40 Descriptor: 1,2-ETHANEDIOL, 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol, NAD-dependent protein deacetylase sirtuin-6, ... Authors: Steegborn, C, You, W, Kambach, C. Deposit date: 2016-11-19 Release date: 2016-12-28 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. Angew. Chem. Int. Ed. Engl., 56, 2017
6FKY	Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide Descriptor: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ... Authors: Pannek, M, Steegborn, C. Deposit date: 2018-01-25 Release date: 2018-03-21 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.98 Å) Cite: Potent and Selective Inhibitors of Human Sirtuin 5. J. Med. Chem., 61, 2018
3PDH	Structure of Sir2Tm bound to a propionylated peptide Descriptor: Cellular tumor antigen p53 18-residue peptide, NAD-dependent deacetylase, ZINC ION Authors: Wolberger, C, Bheda, P. Deposit date: 2010-10-22 Release date: 2011-01-19 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of Sir2Tm bound to a propionylated peptide. Protein Sci., 20, 2011
3PKJ	Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... Authors: Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) Deposit date: 2010-11-11 Release date: 2011-01-26 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
3PKI	Human SIRT6 crystal structure in complex with ADP ribose Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... Authors: Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) Deposit date: 2010-11-11 Release date: 2011-01-26 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
3RIG	Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NAD-dependent deacetylase sirtuin-5, ZINC ION, ... Authors: Zhou, Y. Deposit date: 2011-04-13 Release date: 2011-11-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase Science, 334, 2011
3RIY	Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase Descriptor: NAD-dependent deacetylase sirtuin-5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ... Authors: Zhou, Y, Hao, Q. Deposit date: 2011-04-14 Release date: 2011-11-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase Science, 334, 2011
3U3D	Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine Descriptor: GLYCEROL, Transcriptional regulatory protein sir2 homologue, ZINC ION, ... Authors: Zhou, Y, Hao, Q. Deposit date: 2011-10-05 Release date: 2011-11-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine Acs Chem.Biol., 2011
3U31	Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ... Authors: Zhou, Y, Hao, Q. Deposit date: 2011-10-04 Release date: 2011-11-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine Acs Chem.Biol., 2011
4O8Z	Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone Descriptor: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... Authors: Liu, B. Deposit date: 2013-12-31 Release date: 2015-04-22 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone To be Published
6L65	Sirtuin 2 protein with H3K18 myristoylated peptide Descriptor: MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, PRO-ARG-LYS-GLN-LEU, ... Authors: Chen, L.F. Deposit date: 2019-10-28 Release date: 2020-11-04 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Sirtuin 2 protein with H3K18 myristoylated peptide To Be Published
6LJM	Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13 Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ... Authors: Chen, Q, Yu, Y. Deposit date: 2019-12-17 Release date: 2020-10-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery. Eur.J.Med.Chem., 192, 2020
6L66	Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule Descriptor: NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ARG-LYS-GLN-LEU-ALA, ... Authors: Chen, L.F. Deposit date: 2019-10-28 Release date: 2020-11-04 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.169 Å) Cite: Sirtuin 2 protein with H3K18 myristoylated peptide To Be Published
6LJN	Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15 Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ... Authors: Chen, Q, Yu, Y. Deposit date: 2019-12-17 Release date: 2020-10-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery. Eur.J.Med.Chem., 192, 2020
6LJK	Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF Descriptor: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ... Authors: Chen, Q, Yu, Y. Deposit date: 2019-12-17 Release date: 2020-12-23 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.394 Å) Cite: Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery. Eur.J.Med.Chem., 192, 2020
6L72	Sirtuin 2 demyristoylation native final product 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: Chen, L.F. Deposit date: 2019-10-30 Release date: 2021-03-31 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.501 Å) Cite: Sirtuin 2 protein with H3K18 myristoylated peptide To Be Published
6L71	Sirtuin 2 demyristoylation native intermediate I & II mixture Descriptor: NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE, PRO-ARG-LYS-GLN-LEU-ALA, ... Authors: Chen, L.F. Deposit date: 2019-10-30 Release date: 2021-03-31 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.109 Å) Cite: Sirtuin 2 protein with H3K18 myristoylated peptide To Be Published
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: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies Sci Rep, 5, 2015
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
6NR0	SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-2, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide, ... Authors: Price, I.R, Hong, J. Deposit date: 2019-01-22 Release date: 2020-01-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.45 Å) Cite: A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors. Acs Chem.Biol., 14, 2019
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
4RMJ	Human Sirt2 in complex with ADP ribose and nicotinamide Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, 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 (1.87 Å) Cite: Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015

<123456789>