7DAY
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![BU of 7day by Molmil](/molmil-images/mine/7day) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-, and GSH-bound form | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid, GLUTATHIONE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DB4
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![BU of 7db4 by Molmil](/molmil-images/mine/7db4) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form | Descriptor: | 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one, GLUTATHIONE, Glutathione S-transferase E14 | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DAX
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![BU of 7dax by Molmil](/molmil-images/mine/7dax) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP013-bound form | Descriptor: | 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7000097 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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7DB3
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![BU of 7db3 by Molmil](/molmil-images/mine/7db3) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP011-bound form | Descriptor: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2020-10-18 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo J Pestic Sci, 46, 2021
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4ZXO
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![BU of 4zxo by Molmil](/molmil-images/mine/4zxo) | The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A. | Descriptor: | Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION | Authors: | Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H. | Deposit date: | 2015-05-20 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE. J. Biol. Chem., 292, 2017
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3UJM
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![BU of 3ujm by Molmil](/molmil-images/mine/3ujm) | |
5AWM
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![BU of 5awm by Molmil](/molmil-images/mine/5awm) | |
2PQ7
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![BU of 2pq7 by Molmil](/molmil-images/mine/2pq7) | |
2QPO
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![BU of 2qpo by Molmil](/molmil-images/mine/2qpo) | Thermotoga Maritima Thymidine Kinase in the apo form | Descriptor: | SULFATE ION, Thymidine kinase, ZINC ION | Authors: | Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S. | Deposit date: | 2007-07-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes. Structure, 15, 2007
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6RZI
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![BU of 6rzi by Molmil](/molmil-images/mine/6rzi) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.095 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZM
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![BU of 6rzm by Molmil](/molmil-images/mine/6rzm) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZJ
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![BU of 6rzj by Molmil](/molmil-images/mine/6rzj) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6PZJ
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2ORW
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![BU of 2orw by Molmil](/molmil-images/mine/2orw) | Thermotoga maritima thymidine kinase 1 like enzyme in complex with TP4A | Descriptor: | MAGNESIUM ION, P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, Thymidine kinase, ... | Authors: | Segura-Pena, D, Lutz, S, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2007-02-04 | Release date: | 2007-03-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding of ATP to TK1-like Enzymes Is Associated with a Conformational Change in the Quaternary Structure. J.Mol.Biol., 369, 2007
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6RZL
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![BU of 6rzl by Molmil](/molmil-images/mine/6rzl) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:4(Bromine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.045 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6S5M
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![BU of 6s5m by Molmil](/molmil-images/mine/6s5m) | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-n-propyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5J
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![BU of 6s5j by Molmil](/molmil-images/mine/6s5j) | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-Ethyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-01 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5Q
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![BU of 6s5q by Molmil](/molmil-images/mine/6s5q) | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-isobutyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5U
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![BU of 6s5u by Molmil](/molmil-images/mine/6s5u) | Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine | Descriptor: | Strictosidine synthase, ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6RZK
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![BU of 6rzk by Molmil](/molmil-images/mine/6rzk) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:3(Chlorine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.046 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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4YH2
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![BU of 4yh2 by Molmil](/molmil-images/mine/4yh2) | |
2UVM
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![BU of 2uvm by Molmil](/molmil-images/mine/2uvm) | Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate | Descriptor: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION | Authors: | Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L. | Deposit date: | 2007-03-12 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha. Acs Chem.Biol., 2, 2007
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6GHO
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![BU of 6gho by Molmil](/molmil-images/mine/6gho) | |
7RUJ
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![BU of 7ruj by Molmil](/molmil-images/mine/7ruj) | E. coli cysteine desulfurase SufS N99A | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Gogar, R, Frantom, P.A. | Deposit date: | 2021-08-17 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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7RW3
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![BU of 7rw3 by Molmil](/molmil-images/mine/7rw3) | E. coli cysteine desulfurase SufS N99D | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Gogar, R, Frantom, P.A. | Deposit date: | 2021-08-19 | Release date: | 2023-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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