8PR6
 
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2VYA
 | | Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750 | | Descriptor: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | | Authors: | Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C. | | Deposit date: | 2008-07-22 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
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1LYV
 | | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate. | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, PROTEIN-TYROSINE PHOSPHATASE YOPH | | Authors: | Evdokimov, A.G, Waugh, D.S, Routzahn, K, Tropea, J, Cherry, S. | | Deposit date: | 2002-06-08 | | Release date: | 2002-07-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.363 Å) | | Cite: | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate.
To be Published
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6EP7
 | | ARABIDOPSIS THALIANA GSTU23, GSH bound | | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase U23, ... | | Authors: | Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J. | | Deposit date: | 2017-10-11 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
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6EP6
 | | ARABIDOPSIS THALIANA GSTU23, reduced | | Descriptor: | GLYCEROL, Glutathione S-transferase U23, MAGNESIUM ION | | Authors: | Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J. | | Deposit date: | 2017-10-10 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
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3RH0
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3T38
 | | Corynebacterium glutamicum thioredoxin-dependent arsenate reductase Cg_ArsC1' | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Arsenate Reductase | | Authors: | Messens, J, Wahni, K, Dufe, T.V. | | Deposit date: | 2011-07-25 | | Release date: | 2011-11-23 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Corynebacterium glutamicum survives arsenic stress with arsenate reductases coupled to two distinct redox mechanisms.
Mol.Microbiol., 82, 2011
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1RXE
 | | ArsC complexed with MNB | | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, Arsenate reductase, PERCHLORATE ION, ... | | Authors: | Messens, J, Van Molle, I, Vanhaesebrouck, P, Limbourg, M, Van Belle, K, Wahni, K, Martins, J.C, Loris, R, Wyns, L. | | Deposit date: | 2003-12-18 | | Release date: | 2004-06-01 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of a triple mutant of pI258 arsenate reductase from Staphylococcus aureus and its 5-thio-2-nitrobenzoic acid adduct.
Acta Crystallogr.,Sect.D, 60, 2004
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2O7K
 | | S. aureus thioredoxin | | Descriptor: | Thioredoxin | | Authors: | Roos, G, Garcia-Pino, A, Van Belle, K, Brosens, E, Wahni, K, Vandenbussche, G, Wyns, L, Loris, R, Messens, J. | | Deposit date: | 2006-12-11 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin
J.Mol.Biol., 368, 2007
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1RXI
 | | pI258 arsenate reductase (ArsC) triple mutant C10S/C15A/C82S | | Descriptor: | Arsenate reductase, CHLORIDE ION, PERCHLORATE ION, ... | | Authors: | Messens, J, Van Molle, I, Vanhaesebrouck, P, Limbourg, M, Van Belle, K, Wahni, K, Martins, J.C, Loris, R, Wyns, L. | | Deposit date: | 2003-12-18 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of a triple mutant of pI258 arsenate reductase from Staphylococcus aureus and its 5-thio-2-nitrobenzoic acid adduct.
Acta Crystallogr.,Sect.D, 60, 2004
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6EZY
 | | ARABIDOPSIS THALIANA GSTF9, GSH AND GSOH BOUND | | Descriptor: | BROMIDE ION, GLUTATHIONE, GLYCEROL, ... | | Authors: | Tossounian, M.A, Wahni, K, VanMolle, I, Rosado, L, Vertommen, D, Messens, J. | | Deposit date: | 2017-11-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
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6F01
 | | ARABIDOPSIS THALIANA GSTF9, GSO3 AND GSOH BOUND | | Descriptor: | BROMIDE ION, GLUTATHIONE SULFONIC ACID, GLYCEROL, ... | | Authors: | Tossounian, M.A, Wahni, K, Van Molle, I, Vertommen, D, Rosado, L, Messens, J. | | Deposit date: | 2017-11-17 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
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6ESX
 | | Caulobacter crescentus Trx1 | | Descriptor: | Thioredoxin 1 | | Authors: | Van Molle, I, Wahni, K, Goemans, C.V, Beaufay, F, Collet, J.F, Messens, J. | | Deposit date: | 2017-10-24 | | Release date: | 2018-01-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | An essential thioredoxin is involved in the control of the cell cycle in the bacterium
J. Biol. Chem., 293, 2018
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6F05
 | | ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND | | Descriptor: | CHLORIDE ION, GLUTATHIONE SULFONIC ACID, GLYCEROL, ... | | Authors: | Tossounian, M.A, Wahni, K, VanMolle, I, Vertommen, D, Rosado, L, Messens, J. | | Deposit date: | 2017-11-17 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
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4D7L
 | | Methionine sulfoxide reductase A of Corynebacterium diphtheriae | | Descriptor: | CACODYLATE ION, PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA, SULFATE ION, ... | | Authors: | Van Molle, I, Tossounian, M.A, Pedre, B, Wahni, K, Vertommen, D, Messens, J. | | Deposit date: | 2014-11-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Corynebacterium Diphtheriae Methionine Sulfoxide Reductase a Exploits a Unique Mycothiol Redox Relay Mechanism.
J.Biol.Chem., 290, 2015
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5G1L
 | | A double mutant of DsbG engineered for denitrosylation | | Descriptor: | SULFATE ION, THIOL DISULFIDE INTERCHANGE PROTEIN DSBG | | Authors: | Tamu Dufe, V, Van Molle, I, Lafaye, C, Wahni, K, Boudier, A, Leroy, P, Collet, J.F, Messens, J. | | Deposit date: | 2016-03-28 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sulfur Denitrosylation by an Engineered Trx-Like Dsbg Enzyme Identifies Nucleophilic Cysteine Hydrogen Bonds as Key Functional Determinant.
J.Biol.Chem., 291, 2016
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5G1K
 | | A triple mutant of DsbG engineered for denitrosylation | | Descriptor: | SULFATE ION, THIOL DISULFIDE INTERCHANGE PROTEIN DSBG | | Authors: | Tamu Dufe, V, Van Molle, I, Lafaye, C, Wahni, K, Boudier, A, Leroy, P, Collet, J.F, Messens, J. | | Deposit date: | 2016-03-28 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Sulfur Denitrosylation by an Engineered Trx-Like Dsbg Enzyme Identifies Nucleophilic Cysteine Hydrogen Bonds as Key Functional Determinant.
J.Biol.Chem., 291, 2016
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5KRE
 | | Covalent inhibitor of LYPLAL1 | | Descriptor: | (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION | | Authors: | Pandit, J. | | Deposit date: | 2016-07-07 | | Release date: | 2016-07-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism.
Acs Chem.Biol., 11, 2016
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2WAP
 | | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845 | | Descriptor: | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | | Authors: | Mileni, M, Kamtekar, S, Stevens, R.C. | | Deposit date: | 2009-02-11 | | Release date: | 2009-05-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain.
Chem.Biol., 16, 2009
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8E2M
 | | Bruton's tyrosine kinase (BTK) with compound 13 | | Descriptor: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK | | Authors: | Alexander, R, Milligan, C.M. | | Deposit date: | 2022-08-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 65, 2022
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2J7Z
 | | Crystal Structure of recombinant Human Stromal Cell-Derived Factor- 1alpha | | Descriptor: | STROMAL CELL-DERIVED FACTOR 1 ALPHA | | Authors: | Ryu, E.K, Kim, T.G, Kwon, T.H, Jung, I.D, Ryu, D.W, Park, Y.-M, Ahn, K, Ban, C. | | Deposit date: | 2006-10-18 | | Release date: | 2006-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha.
Proteins, 67, 2007
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2ABJ
 | | Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate. | | Descriptor: | Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ... | | Authors: | Ohren, J.F, Moreland, D.W, Rubin, J.R, Hu, H.L, McConnell, P.C, Mistry, A, Mueller, W.T, Scholten, J.D, Hasemann, C.H. | | Deposit date: | 2005-07-15 | | Release date: | 2006-06-27 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
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6W0Z
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6W0X
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6W0W
 | | Structure of KHK in complex with compound 3 | | Descriptor: | 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION | | Authors: | Jasti, J. | | Deposit date: | 2020-03-03 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
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