8AKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aka by Molmil](/molmil-images/mine/8aka) | |
8AKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ake by Molmil](/molmil-images/mine/8ake) | |
8AK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ak8 by Molmil](/molmil-images/mine/8ak8) | |
8AKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8akg by Molmil](/molmil-images/mine/8akg) | |
8BL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bl0 by Molmil](/molmil-images/mine/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
|
|
8BL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bl1 by Molmil](/molmil-images/mine/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
|
|
8CCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ccw by Molmil](/molmil-images/mine/8ccw) | |
8CNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cno by Molmil](/molmil-images/mine/8cno) | |
8CNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cnm by Molmil](/molmil-images/mine/8cnm) | |
6QCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qcj by Molmil](/molmil-images/mine/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
|
|
6QCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qcd by Molmil](/molmil-images/mine/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
|
|
6QCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qcn by Molmil](/molmil-images/mine/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
|
|
6RXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxq by Molmil](/molmil-images/mine/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
|
|
6QCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qce by Molmil](/molmil-images/mine/6qce) | |
6QCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qch by Molmil](/molmil-images/mine/6qch) | |
6RXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxp by Molmil](/molmil-images/mine/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
|
|
6RXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxl by Molmil](/molmil-images/mine/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
|
|
6RXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxr by Molmil](/molmil-images/mine/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
|
|
6RXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxm by Molmil](/molmil-images/mine/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
|
|
6RXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxo by Molmil](/molmil-images/mine/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
|
|
6RXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxk by Molmil](/molmil-images/mine/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
|
|
6RXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxs by Molmil](/molmil-images/mine/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
|
|
6RXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rxj by Molmil](/molmil-images/mine/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
|
|
5Y0Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y0z by Molmil](/molmil-images/mine/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
|
|
5YQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yqn by Molmil](/molmil-images/mine/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
|
|