6HKC
 
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6ZUI
 | | Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid | | Descriptor: | HTH-type transcriptional repressor NemR,Green fluorescent protein,Green fluorescent protein,HTH-type transcriptional repressor NemR | | Authors: | Tossounian, M.A, Van Molle, I, Messens, J. | | Deposit date: | 2020-07-23 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.200082 Å) | | Cite: | Hypocrates is a genetically encoded fluorescent biosensor for (pseudo)hypohalous acids and their derivatives.
Nat Commun, 13, 2022
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4TOI
 | | Crystal structure of E.coli ribosomal protein S2 in complex with N-terminal domain of S1 | | Descriptor: | 30S ribosomal protein S2,Ribosomal protein S1, ZINC ION | | Authors: | Grishkovskaya, I, Byrgazov, K, Moll, I, Djinovic-Carugo, K. | | Deposit date: | 2014-06-05 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the interaction of protein S1 with the Escherichia coli ribosome.
Nucleic Acids Res., 43, 2015
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4W9G
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9I
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 10) | | Descriptor: | (4R)-1-acetyl-4-hydroxy-L-prolyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9K
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14) | | Descriptor: | N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9C
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(oxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 2) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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5O84
 | | Glutathione S-transferase Tau 23 (partially oxidized) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | Authors: | Young, D.R, Van Molle, I, Tossounian, M, Messens, J. | | Deposit date: | 2017-06-12 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
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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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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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4W9D
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9H
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7) | | Descriptor: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9E
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9J
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-4-methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 13) | | Descriptor: | N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9L
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3,3-dimethylbutanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 15) | | Descriptor: | N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9F
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 5) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | van Molle, I, Hewitt, S, Galdeano, C, Gadd, M.S, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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1U1S
 | | Hfq protein from Pseudomonas aeruginosa. Low-salt crystals | | Descriptor: | Hfq protein | | Authors: | Nikulin, A.D, Stolboushkina, E.A, Perederina, I, Vassilieva, I.M, Blaesi, U, Moll, I, Kachalova, G, Vassylyev, D, Yokoyama, S, Garber, M, Nikonov, S.V, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-07-16 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Pseudomonas aeruginosa Hfq protein.
Acta Crystallogr.,Sect.D, 61, 2005
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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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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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1U1T
 | | Hfq protein from Pseudomonas aeruginosa. High-salt crystals | | Descriptor: | Hfq protein | | Authors: | Nikulin, A.D, Stolboushkina, E.A, Perederina, A.A, Vassilieva, I.M, Blaesi, U, Moll, I, Kachalova, G, Yokoyama, S, Vassylyev, D, Garber, M, Nikonov, S.V, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-07-16 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Pseudomonas aeruginosa Hfq protein.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZPL
 | | E. coli F17a-G lectin domain complex with GlcNAc(beta1-O)Me | | Descriptor: | F17a-G, methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | | Deposit date: | 2005-05-17 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Impact of natural variation in bacterial F17G adhesins on crystallization behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZK5
 | | Escherichia coli F17fG lectin domain complex with N-acetylglucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17G adhesin subunit | | Authors: | Buts, L, Wellens, A, Van Molle, I, De Genst, E, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | | Deposit date: | 2005-05-02 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impact of natural variation in bacterial F17G adhesins on crystallization behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
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3F6L
 | | Structure of the F4 fimbrial chaperone FaeE | | Descriptor: | Chaperone protein faeE | | Authors: | Van Molle, I, Moonens, K, Buts, L, Garcia-Pino, A, Wyns, L, De Greve, H, Bouckaert, J. | | Deposit date: | 2008-11-06 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces
Acta Crystallogr.,Sect.D, 65, 2009
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3F6I
 | | Structure of the SeMet labeled F4 fibrial chaperone FaeE | | Descriptor: | Chaperone protein faeE | | Authors: | Van Molle, I, Moonens, K, Buts, L, Garcia-Pino, A, Wyns, L, De Greve, H, Bouckaert, J. | | Deposit date: | 2008-11-06 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.788 Å) | | Cite: | The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces
Acta Crystallogr.,Sect.D, 65, 2009
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3F65
 | | The F4 fimbrial chaperone FaeE does not self-cap its interactive surfaces | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chaperone protein faeE, PHOSPHATE ION | | Authors: | Van Molle, I, Moonens, K, Buts, L, Garcia-Pino, A, Wyns, L, De Greve, H, Bouckaert, J. | | Deposit date: | 2008-11-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces
Acta Crystallogr.,Sect.D, 65, 2009
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