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PDB: 42 件

6HOY
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BU of 6hoy by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-09-18
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
J.Med.Chem., 61, 2018
8AK8
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BU of 8ak8 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide
分子名称: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6XV6
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BU of 6xv6 by Molmil
Human Sirt6 3-318 in complex with ADP-ribose
分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ...
著者You, W, Steegborn, C.
登録日2020-01-21
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
8CNO
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BU of 8cno by Molmil
Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKD
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BU of 8akd by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine
分子名称: 4-METHYL-HISTIDINE, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKA
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BU of 8aka by Molmil
Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK7
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BU of 8ak7 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine
分子名称: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKE
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BU of 8ake by Molmil
Human Sirt6 in complex with ADP-ribose and fragment nicotinamide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKG
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BU of 8akg by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide
分子名称: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8BL0
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BU of 8bl0 by Molmil
Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose
分子名称: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-11-09
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKC
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BU of 8akc by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid
分子名称: 3-(acetylamino)thiophene-2-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6QCD
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BU of 6qcd by Molmil
Human Sirt6 in complex with ADP-ribose and the activator quercetin
分子名称: 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2018-12-27
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
5MF6
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BU of 5mf6 by Molmil
Human Sirt6 in complex with activator UBCS039
分子名称: (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-17
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
8CNM
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BU of 8cnm by Molmil
Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose
分子名称: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6QCE
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BU of 6qce by Molmil
Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-12-27
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
8AK9
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BU of 8ak9 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment Isatin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6XV1
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BU of 6xv1 by Molmil
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2020-01-21
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
8AKF
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BU of 8akf by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide
分子名称: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
5X16
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BU of 5x16 by Molmil
Sirt6 apo structure
分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, TERTIARY-BUTYL ALCOHOL, ...
著者Zhang, J, Huang, Z, Song, K.
登録日2017-01-24
公開日2018-07-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Sirt6 apo structure
To Be Published
5MFP
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BU of 5mfp by Molmil
Human Sirt6 in complex with activator UBCS58
分子名称: 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-18
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
8AK6
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BU of 8ak6 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2022-07-29
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
3K35
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BU of 3k35 by Molmil
Crystal Structure of Human SIRT6
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ...
著者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)
登録日2009-10-01
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
6QCJ
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BU of 6qcj by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
分子名称: (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, ...
著者You, W, Steegborn, C.
登録日2018-12-28
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
3PKI
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BU of 3pki by Molmil
Human SIRT6 crystal structure in complex with ADP ribose
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者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)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
8BL1
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BU of 8bl1 by Molmil
Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose
分子名称: 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2022-11-09
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published

 

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件を2024-07-03に公開中

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