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1SM4
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BU of 1sm4 by Molmil
Crystal Structure Analysis of the Ferredoxin-NADP+ Reductase from Paprika
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, chloroplast ferredoxin-NADP+ oxidoreductase
Authors:Dorowski, A, Hofmann, A, Steegborn, C, Boicu, M, Huber, R.
Deposit date:2004-03-08
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of paprika ferredoxin-NADP+ reductase. Implications for the electron transfer pathway.
J.Biol.Chem., 276, 2001
6EO0
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BU of 6eo0 by Molmil
Zebrafish Sirt5 in complex with stalled peptidylimidate and bicyclic intermediate of inhibitory compound 29
Descriptor: 1,2-ETHANEDIOL, 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-10-08
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
6ENX
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BU of 6enx by Molmil
Zebrafish Sirt5 in complex with stalled bicyclic intermediate of inhibitory compound 10
Descriptor: 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid, DIMETHYL SULFOXIDE, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-10-06
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
6EQS
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BU of 6eqs by Molmil
Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29
Descriptor: 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-10-15
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
1N8P
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BU of 1n8p by Molmil
Crystal Structure of cystathionine gamma-lyase from yeast
Descriptor: Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE
Authors:Messerschmidt, A, Worbs, M, Steegborn, C, Wahl, M.C, Huber, R, Clausen, T.
Deposit date:2002-11-21
Release date:2002-12-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Determinants of Enzymatic Specificity in the Cys-Met-Metabolism PLP-Dependent Enzymes Family: Crystal Structure of Cystathionine gamma-lyase from Yeast and Intrafamiliar Structural Comparison
BIOL.CHEM., 384, 2003
2W01
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BU of 2w01 by Molmil
Crystal structure of the guanylyl cyclase Cya2
Descriptor: ADENYLATE CYCLASE
Authors:Rauch, A, Leipelt, M, Russwurm, M, Steegborn, C.
Deposit date:2008-08-08
Release date:2008-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of the Guanylyl Cyclase Cya2.
Proc.Natl.Acad.Sci.USA, 105, 2008
6XV1
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BU of 6xv1 by Molmil
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
Descriptor: 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, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6XUY
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BU of 6xuy by Molmil
Human Sirt6 13-308 in complex with ADP-ribose
Descriptor: NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6XV6
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BU of 6xv6 by Molmil
Human Sirt6 3-318 in complex with ADP-ribose
Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6XVG
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BU of 6xvg by Molmil
Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-22
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6YII
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BU of 6yii by Molmil
Crystal structure of a Class III adenylyl cyclase-like ATP-binding protein from Pseudomonas aeruginosa
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Moniot, S, Steegborn, C.
Deposit date:2020-04-01
Release date:2020-06-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of a class III adenylyl cyclase-like ATP-binding protein from Pseudomonas aeruginosa.
J.Struct.Biol., 211, 2020
6YP4
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BU of 6yp4 by Molmil
Putative adenylyl cyclase HpAC1 from Hippeastrum reveals a dominant triphophatase activity
Descriptor: 1,2-ETHANEDIOL, Adenylate cyclase, CHLORIDE ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2020-04-15
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.945411 Å)
Cite:Crystal structure and enzymatic characterization of the putative adenylyl cyclase HpAC1 from Hippeastrum reveal dominant triphosphatase activity.
J.Struct.Biol., 212, 2020
6HOY
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BU of 6hoy by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-09-18
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
J.Med.Chem., 61, 2018
8AKB
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BU of 8akb by Molmil
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
8AKA
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BU of 8aka by Molmil
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
8ANB
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BU of 8anb by Molmil
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
8AK6
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BU of 8ak6 by Molmil
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
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BU of 8ak7 by Molmil
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
8AKD
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BU of 8akd by Molmil
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
8AKE
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BU of 8ake by Molmil
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
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
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
8AK8
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BU of 8ak8 by Molmil
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
8AK5
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BU of 8ak5 by Molmil
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
8AKF
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BU of 8akf by Molmil
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
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
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

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数据于2024-05-29公开中

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