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3GLR
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BU of 3glr by Molmil
Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLT
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BU of 3glt by Molmil
Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLU
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BU of 3glu by Molmil
Crystal Structure of Human SIRT3 with AceCS2 peptide
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
8BL0
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BU of 8bl0 by Molmil
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
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BU of 8bl1 by Molmil
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
6L65
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BU of 6l65 by Molmil
Sirtuin 2 protein with H3K18 myristoylated peptide
Descriptor: MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, PRO-ARG-LYS-GLN-LEU, ...
Authors:Chen, L.F.
Deposit date:2019-10-28
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L66
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BU of 6l66 by Molmil
Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule
Descriptor: NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ARG-LYS-GLN-LEU-ALA, ...
Authors:Chen, L.F.
Deposit date:2019-10-28
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
8CCW
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BU of 8ccw by Molmil
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
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
Descriptor: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L72
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BU of 6l72 by Molmil
Sirtuin 2 demyristoylation native final product
Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
Authors:Chen, L.F.
Deposit date:2019-10-30
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
6L71
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BU of 6l71 by Molmil
Sirtuin 2 demyristoylation native intermediate I & II mixture
Descriptor: NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE, PRO-ARG-LYS-GLN-LEU-ALA, ...
Authors:Chen, L.F.
Deposit date:2019-10-30
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
8CNO
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BU of 8cno by Molmil
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
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BU of 8cnm by Molmil
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
3JWP
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BU of 3jwp by Molmil
Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ...
Authors:Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
Deposit date:2009-09-18
Release date:2009-10-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
TO BE PUBLISHED
3K35
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BU of 3k35 by Molmil
Crystal Structure of Human SIRT6
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ...
Authors: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)
Deposit date:2009-10-01
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
3JR3
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BU of 3jr3 by Molmil
Sir2 bound to acetylated peptide
Descriptor: Acetylated Peptide, NAD-dependent deacetylase, ZINC ION
Authors:Hawse, W.F, Wolberger, C.
Deposit date:2009-09-08
Release date:2009-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based mechanism of ADP-ribosylation by sirtuins.
J.Biol.Chem., 284, 2009
3GLS
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BU of 3gls by Molmil
Crystal Structure of Human SIRT3
Descriptor: NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
1M2J
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BU of 1m2j by Molmil
Sir2 homologue H80N mutant-ADP ribose complex
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2H
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BU of 1m2h by Molmil
Sir2 homologue S24A mutant-ADP ribose complex
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2N
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BU of 1m2n by Molmil
Sir2 homologues (D102G/F159A/R170A) mutant-2'-O-acetyl ADP ribose complex
Descriptor: 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2003
1MA3
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BU of 1ma3 by Molmil
Structure of a Sir2 enzyme bound to an acetylated p53 peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cellular tumor antigen p53, Transcriptional regulatory protein, ...
Authors:Avalos, J.L, Celic, I, Muhammad, S, Cosgrove, M.S, Boeke, J.D, Wolberger, C.
Deposit date:2002-07-31
Release date:2002-10-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a Sir2 enzyme bound to an acetylated p53 peptide
Mol.Cell, 10, 2002
4UTN
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BU of 4utn by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Pannek, M, Gertz, M, Steegborn, C.
Deposit date:2014-07-21
Release date:2014-08-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UU7
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BU of 4uu7 by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide
Descriptor: (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ...
Authors:Pannek, M, Gertz, M, Steegborn, C.
Deposit date:2014-07-24
Release date:2014-08-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014

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數據於2024-05-01公開中

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