1WAM
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5NF7
| Structure of Galectin-3 CRD in complex with compound 1 | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Pilard, F.D, Teletchea, S, Ciesielski, F, Hannah, V.V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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4CO9
| Crystal structure of kynurenine formamidase from Bacillus anthracis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-01-27 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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2BI8
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2BI7
| udp-galactopyranose mutase from Klebsiella pneumoniae oxidised FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE | Authors: | Beis, K, Srikannathasan, V, Naismith, J. | Deposit date: | 2005-01-20 | Release date: | 2005-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State. J.Mol.Biol., 348, 2005
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4AX2
| New Type VI-secreted toxins and self-resistance proteins in Serratia marcescens | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, RAP1B | Authors: | English, G, Trunk, K, Rao, V.A, Srikannathasan, V, Fritsch, M.J, Guo, M, Hunter, W.N, Coulthurst, S.J. | Deposit date: | 2012-06-07 | Release date: | 2012-09-19 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | New Secreted Toxins and Immunity Proteins Encoded within the Type Vi Secretion System Gene Cluster of Serratia Marcescens Mol.Microbiol., 86, 2012
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5FYB
| Crystal structure of the catalytic domain of human JARID1B in complex with MC1648 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Nowak, R, Srikannathasan, V, Rotili, D, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-03-05 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc1648 To be Published
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5BPV
| Crystal Structure of Zaire ebolavirus VP35 RNA binding domain mutant I278A | Descriptor: | Polymerase cofactor VP35 | Authors: | Fadda, V, Cannas, V, Zinzula, L, Distinto, S, Daino, G.L, Bianco, G, Corona, A, Esposito, F, Alcaro, S, Maccioni, E, Tramontano, E, Taylor, G.L. | Deposit date: | 2015-05-28 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Crystal Structure of Zaire ebolavirus VP35 RNA binding domain mutant I278A to be published
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5BQK
| CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF ICP27 PROTEIN FROM HSV-1 | Descriptor: | ICP27, ZINC ION | Authors: | Patel, V, Rajakannan, V, Dahlroth, S, Nordlund, P. | Deposit date: | 2015-05-29 | Release date: | 2015-07-01 | Last modified: | 2015-08-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the C-Terminal Domain of the Multifunctional ICP27 Protein from Herpes Simplex Virus 1. J.Virol., 89, 2015
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1VKQ
| A re-determination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6A resolution using sulphur-SAS at 1.54A wavelength | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sekar, K, Velmurugan, D, Rajakannan, V, Yamane, T, Dauter, M, Dauter, Z. | Deposit date: | 2004-06-12 | Release date: | 2004-08-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength. Acta Crystallogr.,Sect.D, 60, 2004
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1VL9
| Atomic resolution (0.97A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Sekar, K, Velmurugan, D, Rajakannan, V, Gayathri, D, Poi, M.-J, Tsai, M.-D, Dauter, M, Dauter, Z. | Deposit date: | 2004-07-15 | Release date: | 2004-10-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2. Acta Crystallogr.,Sect.F, 61, 2005
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5NFA
| Structure of Galectin-3 CRD in complex with compound 3 | Descriptor: | 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine, Galectin-3 | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NFB
| Structure of Galectin-3 CRD in complex with compound 4 | Descriptor: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NF9
| Structure of Galectin-3 CRD in complex with compound 2 | Descriptor: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NFC
| Structure of Galectin-3 CRD in complex with glycerol | Descriptor: | GLYCEROL, Galectin-3 | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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4COB
| Crystal structure kynurenine formamidase from Pseudomonas aeruginosa | Descriptor: | KYNURENINE FORMAMIDASE, ZINC ION | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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4COG
| Crystal structure of kynurenine formamidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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4CZ1
| Crystal structure of kynurenine formamidase from Bacillus anthracis complexed with 2-aminoacetophenone. | Descriptor: | 2-aminoacetophenone, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N. | Deposit date: | 2014-04-16 | Release date: | 2014-04-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile. Biochem.J., 462, 2014
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5FUP
| Crystal structure of human JARID1B in complex with 2-oxoglutarate. | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-01-28 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5MR8
| Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide | Descriptor: | E3 ubiquitin-protein ligase TRIM33, Histone H3, ZINC ION | Authors: | Tallant, C, Savitsky, P, Fedorov, O, Nunez-Alonso, G, Siejka, P, Krojer, T, Williams, E, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide To Be Published
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5FV3
| Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-02-02 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5LF9
| Crystal structure of human NUDT22 | Descriptor: | Nucleoside diphosphate-linked moiety X motif 22 | Authors: | Tallant, C, Siejka, P, Mathea, S, Shrestha, L, Krojer, T, Srikannathasan, V, Elkins, J.M, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-30 | Release date: | 2017-08-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of human NUDT22 To Be Published
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5DKH
| Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17 | Descriptor: | (2E)-3-[(6S,9R)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5H-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Probable global transcription activator SNF2L2, ... | Authors: | Tallant, C, Owen, D.R, Taylor, A, Fedorov, O, Savitsky, P, Siejka, P, Srikannathasan, V, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with a hydroxyphenyl propenone inhibitor 17 To Be Published
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5FZG
| Crystal structure of the catalytic domain of human JARID1B in complex with MC3948 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948 To be Published
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5A3P
| Crystal structure of the catalytic domain of human PLU1 (JARID1B). | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Tallant, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-06-02 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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