6SL6
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![BU of 6sl6 by Molmil](/molmil-images/mine/6sl6) | p53 charged core | Descriptor: | Cellular tumor antigen p53, GLYCEROL, ZINC ION | Authors: | Gallardo, R, Langenberg, T, Schymkowitz, J, Rousseau, F, Ulens, C. | Deposit date: | 2019-08-18 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Thermodynamic and Evolutionary Coupling between the Native and Amyloid State of Globular Proteins. Cell Rep, 31, 2020
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6SLB
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![BU of 6slb by Molmil](/molmil-images/mine/6slb) | Crystal structure of isomerase PaaG with trans-3,4-didehydroadipyl-CoA | Descriptor: | (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid, Enoyl-CoA hydratase/carnithine racemase | Authors: | Saleem-Batcha, R, Spieker, M, Teufel, R. | Deposit date: | 2019-08-19 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism. Acs Chem.Biol., 14, 2019
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6MEV
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![BU of 6mev by Molmil](/molmil-images/mine/6mev) | Structure of JMJD6 bound to Mono-Methyl Arginine. | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | Authors: | Lee, S, Zhang, G. | Deposit date: | 2018-09-07 | Release date: | 2019-09-18 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes. Elife, 9, 2020
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4H6E
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![BU of 4h6e by Molmil](/molmil-images/mine/4h6e) | tRNA-guanine transglycosylase Y106F, C158V, V233G mutant apo structure | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-09-19 | Release date: | 2012-11-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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5GI5
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![BU of 5gi5 by Molmil](/molmil-images/mine/5gi5) | |
3T27
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![BU of 3t27 by Molmil](/molmil-images/mine/3t27) | Orthorhombic trypsin (bovine) in the presence of betaine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Venkat, M, Saxby, C, Cahn, J, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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6K80
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![BU of 6k80 by Molmil](/molmil-images/mine/6k80) | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Complex with CoA and Tryptophol | Descriptor: | 2-(1H-indol-3-yl)ethanol, ACETYL COENZYME *A, Dopamine N-acetyltransferase | Authors: | Wu, C.Y, Hu, I.C, Yang, Y.C, Cheng, H.C, Lyu, P.C. | Deposit date: | 2019-06-11 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase. Commun Biol, 3, 2020
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5JO0
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![BU of 5jo0 by Molmil](/molmil-images/mine/5jo0) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2016-05-01 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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6AOW
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6ATJ
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![BU of 6atj by Molmil](/molmil-images/mine/6atj) | RECOMBINANT HORSERADISH PEROXIDASE C COMPLEX WITH FERULIC ACID | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Henriksen, A, Smith, A.T, Gajhede, M. | Deposit date: | 1999-04-23 | Release date: | 2000-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structures of the horseradish peroxidase C-ferulic acid complex and the ternary complex with cyanide suggest how peroxidases oxidize small phenolic substrates. J.Biol.Chem., 274, 1999
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3T26
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![BU of 3t26 by Molmil](/molmil-images/mine/3t26) | Orthorhombic trypsin (bovine) in the presence of sarcosine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4H7Z
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![BU of 4h7z by Molmil](/molmil-images/mine/4h7z) | tRNA-guanine transglycosylase Y106F, C158V mutant in complex with guanine | Descriptor: | GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ... | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-09-21 | Release date: | 2012-10-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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6B9F
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![BU of 6b9f by Molmil](/molmil-images/mine/6b9f) | Human ATL1 mutant - F151S bound to GDPAlF4- | Descriptor: | Atlastin-1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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2A6K
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![BU of 2a6k by Molmil](/molmil-images/mine/2a6k) | Crystal Structure Analysis of the germline antibody 36-65 Fab in complex with the dodecapeptide SLGDNLTNHNLR | Descriptor: | DODECAPEPTIDE: SLGDNLTNHNLR, Germline antibody 36-65 Fab heavy chain, Germline antibody 36-65 Fab light chain | Authors: | Sethi, D.K, Agarwal, A, Manivel, V, Rao, K.V, Salunke, D.M. | Deposit date: | 2005-07-03 | Release date: | 2006-06-13 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Differential epitope positioning within the germline antibody paratope enhances promiscuity in the primary immune response. Immunity, 24, 2006
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4GD0
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![BU of 4gd0 by Molmil](/molmil-images/mine/4gd0) | tRNA-guanine transglycosylase Y106F, C158V mutant | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Schmidt, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-07-31 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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6MOA
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![BU of 6moa by Molmil](/molmil-images/mine/6moa) | C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor | Descriptor: | 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL | Authors: | Lansdon, E.B, Newby, Z.E.R. | Deposit date: | 2018-10-04 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.271 Å) | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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6MO7
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![BU of 6mo7 by Molmil](/molmil-images/mine/6mo7) | N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor | Descriptor: | Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide | Authors: | Lansdon, E.B, Newby, Z.E.R. | Deposit date: | 2018-10-04 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27, 2019
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3R9A
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![BU of 3r9a by Molmil](/molmil-images/mine/3r9a) | Human alanine-glyoxylate aminotransferase in complex with the TPR domain of human PEX5P | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peroxisomal targeting signal 1 receptor, Serine--pyruvate aminotransferase | Authors: | Fodor, K, Wilmanns, M. | Deposit date: | 2011-03-25 | Release date: | 2011-05-11 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular requirements for peroxisomal targeting of alanine-glyoxylate aminotransferase as an essential determinant in primary hyperoxaluria type 1 Plos Biol., 10, 2012
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4HSH
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![BU of 4hsh by Molmil](/molmil-images/mine/4hsh) | tRNA-guanine transglycosylase Y106F, V233G mutant in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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4HVX
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![BU of 4hvx by Molmil](/molmil-images/mine/4hvx) | tRNA-guanine transglycosylase Y106F, C158V mutant in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-11-07 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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2K4A
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![BU of 2k4a by Molmil](/molmil-images/mine/2k4a) | |
3TWL
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![BU of 3twl by Molmil](/molmil-images/mine/3twl) | Crystal structure of Arabidopsis thaliana FPG | Descriptor: | Formamidopyrimidine-DNA glycosylase 1, GLYCEROL | Authors: | Duclos, S, Aller, P, Wallace, S.S, Doublie, S. | Deposit date: | 2011-09-22 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical studies of a plant formamidopyrimidine-DNA glycosylase reveal why eukaryotic Fpg glycosylases do not excise 8-oxoguanine. Dna Repair, 11, 2012
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3TWK
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![BU of 3twk by Molmil](/molmil-images/mine/3twk) | Crystal structure of arabidopsis thaliana FPG | Descriptor: | Formamidopyrimidine-DNA glycosylase 1, GLYCEROL | Authors: | Duclos, S, Aller, P, Wallace, S.S, Doublie, S. | Deposit date: | 2011-09-22 | Release date: | 2012-07-25 | Last modified: | 2012-08-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical studies of a plant formamidopyrimidine-DNA glycosylase reveal why eukaryotic Fpg glycosylases do not excise 8-oxoguanine. Dna Repair, 11, 2012
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4HQV
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![BU of 4hqv by Molmil](/molmil-images/mine/4hqv) | tRNA-guanine transglycosylase Y106F, C158V, V233G mutant in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2012-10-26 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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5FO1
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![BU of 5fo1 by Molmil](/molmil-images/mine/5fo1) | |