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Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate resulting from soaking with ATP and Calcium
Descriptor:	1,2-ETHANEDIOL, ACETATE ION, ADENYLATE CYCLASE TYPE 10, ...
Authors:	Kleinboelting, S, Steegborn, C.
Deposit date:	2014-07-13
Release date:	2014-07-30
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution. FEBS J., 281, 2014

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

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

8CCW

Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide
Descriptor:	NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:	Adolph, R.S, Steegborn, C.
Deposit date:	2023-01-27
Release date:	2023-05-10
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein. Life, 13, 2023

8CCZ

Crystal structure of human Sirt3 in complex with an inhibiting HIV1 Tat-37-59 peptide
Descriptor:	NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:	Adolph, R.S, Steegborn, C.
Deposit date:	2023-01-28
Release date:	2023-05-10
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein. Life, 13, 2023

8CNO

Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
Descriptor:	1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2023-02-23
Release date:	2024-03-06
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8CNM

Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose
Descriptor:	1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2023-02-23
Release date:	2024-03-13
Method:	X-RAY DIFFRACTION (1.88 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

6FLG

Crystal structure of zebrafish Sirtuin 5 in complex with 3(S)-(naphthylthio)succinyl-CPS1 peptide
Descriptor:	1,2-ETHANEDIOL, 3(S)-(naphthylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:	Pannek, M, Steegborn, C.
Deposit date:	2018-01-25
Release date:	2018-04-18
Last modified:	2024-01-17
Method:	X-RAY DIFFRACTION (2.5 Å)
Cite:	Potent and Selective Inhibitors of Human Sirtuin 5. J. Med. Chem., 61, 2018

6FFM

Crystal Structure of Human KEAP1 BTB Domain in Complex with isoxazoline-based inhibitor
Descriptor:	Kelch-like ECH-associated protein 1, ~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
Authors:	Moniot, S, Steegborn, C.
Deposit date:	2018-01-08
Release date:	2018-11-14
Last modified:	2024-01-17
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Effects of 3-Bromo-4,5-dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase-1 Expression. ChemistryOpen, 7, 2018

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

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

8AKA

Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol
Descriptor:	1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.77 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AKD

Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine
Descriptor:	4-METHYL-HISTIDINE, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.76 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AK5

Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid
Descriptor:	1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (2.12 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AKB

Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol
Descriptor:	1,2-ETHANEDIOL, 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (2.13 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AKC

Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid
Descriptor:	3-(acetylamino)thiophene-2-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.83 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8ANB

14-3-3 sigma sirtuin-1 phospho-peptide complex
Descriptor:	14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:	Weyand, M, Steegborn, C, Debbert, L.
Deposit date:	2022-08-05
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.64 Å)
Cite:	14-3-3 sigma sirtuin-1 phospho-peptide complex To Be Published

8AKE

Human Sirt6 in complex with ADP-ribose and fragment nicotinamide
Descriptor:	1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
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

8AK6

Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
Descriptor:	1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.98 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AK7

Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine
Descriptor:	1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.81 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AK8

Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide
Descriptor:	4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.73 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AK9

Human Sirt6 in complex with ADP-ribose and fragment Isatin
Descriptor:	1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AKF

Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide
Descriptor:	1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.97 Å)
Cite:	Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

8AKG

Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide
Descriptor:	1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ...
Authors:	You, W, Steegborn, C.
Deposit date:	2022-07-29
Release date:	2023-08-16
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

8ANC

14-3-3 sigma sirtuin-3 phospho-peptide complex
Descriptor:	14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:	Weyand, M, Steegborn, C, Debbert, L.
Deposit date:	2022-08-05
Release date:	2023-08-16
Method:	X-RAY DIFFRACTION (1.11 Å)
Cite:	14-3-3 sigma sirtuin-3 phospho-peptide complex To Be Published

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