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2XSS
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BU of 2xss by Molmil
Crystal structure of GAFb from the human phosphodiesterase 5
Descriptor: CGMP-SPECIFIC 3', 5'-CYCLIC PHOSPHODIESTERASE
Authors:Schlicker, C, Russwurm, M, Steegborn, C.
Deposit date:2010-09-30
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Gaf-B Domain from Human Phosphodiesterase 5.
Proteins, 79, 2011
6FLG
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BU of 6flg by Molmil
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
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
8CCZ
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BU of 8ccz by Molmil
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
1ELQ
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BU of 1elq by Molmil
CRYSTAL STRUCTURE OF THE CYSTINE C-S LYASE C-DES
Descriptor: L-CYSTEINE/L-CYSTINE C-S LYASE, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Clausen, T, Kaiser, J.T, Steegborn, C, Huber, R, Kessler, D.
Deposit date:2000-03-14
Release date:2000-04-19
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cystine C-S lyase from Synechocystis: stabilization of cysteine persulfide for FeS cluster biosynthesis.
Proc.Natl.Acad.Sci.USA, 97, 2000
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
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
1ELU
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BU of 1elu by Molmil
COMPLEX BETWEEN THE CYSTINE C-S LYASE C-DES AND ITS REACTION PRODUCT CYSTEINE PERSULFIDE.
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, L-CYSTEINE/L-CYSTINE C-S LYASE, POTASSIUM ION, ...
Authors:Clausen, T, Kaiser, J.T, Steegborn, C, Huber, R, Kessler, D.
Deposit date:2000-03-14
Release date:2000-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the cystine C-S lyase from Synechocystis: stabilization of cysteine persulfide for FeS cluster biosynthesis.
Proc.Natl.Acad.Sci.USA, 97, 2000
6XVW
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BU of 6xvw by Molmil
Catalytic domain of human PARP-1 in complex with the inhibitor MC2050
Descriptor: 1,2-ETHANEDIOL, 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one, NICKEL (II) ION, ...
Authors:Pfahler, J, Steegborn, C.
Deposit date:2020-01-22
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:From PARP1 to TNKS2 Inhibition: A Structure-Based Approach.
Acs Med.Chem.Lett., 11, 2020
6FFM
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BU of 6ffm by Molmil
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
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BU of 6fkz by Molmil
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
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BU of 6fky by Molmil
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
5MAT
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BU of 5mat by Molmil
Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor
Descriptor: (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, HEXAETHYLENE GLYCOL, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Moniot, S, Steegborn, C.
Deposit date:2016-11-04
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
J. Med. Chem., 60, 2017
5MAR
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BU of 5mar by Molmil
Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose.
Descriptor: 1,2-ETHANEDIOL, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol, ACETATE ION, ...
Authors:Moniot, S, Steegborn, C.
Deposit date:2016-11-04
Release date:2017-03-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.
J. Med. Chem., 60, 2017
4UST
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BU of 4ust by Molmil
Crystal structure of human soluble Adenylyl Cyclase with pyrophosphate resulting from soaking with GTP and Magnesium
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 (1.9 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
4USV
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BU of 4usv by Molmil
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
4USW
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BU of 4usw by Molmil
Crystal structure of human soluble Adenylyl Cyclase with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, 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 (2.05 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
4USU
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BU of 4usu by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 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
6QCJ
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BU of 6qcj by Molmil
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
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BU of 6qcd by Molmil
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
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BU of 6qcn by Molmil
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
6QCE
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BU of 6qce by Molmil
Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
6QCH
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BU of 6qch by Molmil
Human Sirt6 in complex with ADP-ribose and the activator cyanidin
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-28
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
1OU5
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BU of 1ou5 by Molmil
Crystal structure of human CCA-adding enzyme
Descriptor: tRNA CCA-adding enzyme
Authors:Augustin, M.A, Reichert, A.S, Betat, H, Huber, R, Moerl, M, Steegborn, C.
Deposit date:2003-03-24
Release date:2003-05-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of the Human CCA-adding Enzyme: Insights into Template-independent Polymerization
J.Mol.Biol., 328, 2003
1PM3
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BU of 1pm3 by Molmil
MTH1859
Descriptor: MTH1895
Authors:Ye, H, Steegborn, C, Wu, H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-06-09
Release date:2003-08-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of the putative adapter protein MTH1859.
J.Struct.Biol., 148, 2004

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数据于2024-05-29公开中

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