8AKA
 
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8AKE
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8AK8
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8AKG
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8BL0
 | | Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose | | Descriptor: | 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 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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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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8CCW
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8CNO
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8CNM
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6QCJ
 | | Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate | | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2018-12-28 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
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6QCD
 | | Human Sirt6 in complex with ADP-ribose and the activator quercetin | | Descriptor: | 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2018-12-27 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
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6QCN
 | | Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Riemer, S, You, W, Steegborn, C. | | Deposit date: | 2018-12-29 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
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6RXQ
 | | Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after soaking | | Descriptor: | Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | 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 (1.7 Å) | | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6QCE
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6QCH
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6RXP
 | | Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16-Crotonyl 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 (1.8 Å) | | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXL
 | | Crystal structure of CobB wt in complex with H4K16-Crotonyl 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 (2.3 Å) | | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXR
 | | Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after co-crystallisation | | Descriptor: | Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | 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 (1.7 Å) | | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXM
 | | Crystal structure of CobB Ac2 (A76G, I131C, V162G) 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 (1.92 Å) | | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXO
 | | Crystal structure of CobB Ac2 (A76G, I131C, V162A) in complex with H4K16-Buturyl 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 (1.95 Å) | | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
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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
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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
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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
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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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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
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