5IFK
| Purine nucleoside phosphorylase | Descriptor: | HYPOXANTHINE, Purine nucleoside phosphorylase | Authors: | Thakur, K.G, Priyanka, A. | Deposit date: | 2016-02-26 | Release date: | 2017-03-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Functional and Structural Characterization of Purine Nucleoside Phosphorylase from Kluyveromyces lactis and Its Potential Applications in Reducing Purine Content in Food PLoS ONE, 11, 2016
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6SWR
| Crystal structure of the lysosomal potassium channel MtTMEM175 T38A mutant soaked with zinc | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody, Maltose/maltodextrin-binding periplasmic protein,Maltodextrin-binding protein,Maltose/maltodextrin-binding periplasmic protein, ... | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | Deposit date: | 2019-09-23 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for ion selectivity in TMEM175 K + channels. Elife, 9, 2020
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6GPS
| CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 | Descriptor: | C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, ZINC ION, [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium | Authors: | Pautsch, A, Schnapp, G. | Deposit date: | 2018-06-07 | Release date: | 2019-01-02 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists. Structure, 27, 2019
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5XZT
| C-terminal peptide depleted mutant of hydroxynitrile lyase from Passiflora edulis (PeHNL) | Descriptor: | HEXANE-1,6-DIOL, Hydroxynitrile lyase | Authors: | Motojima, F, Nuylert, A, Asano, Y. | Deposit date: | 2017-07-13 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure and catalytic mechanism of hydroxynitrile lyase from passion fruit, Passiflora edulis FEBS J., 285, 2018
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6GQL
| Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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8BF6
| X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - azotochelin complex | Descriptor: | ABC transporter, Azotochelin, FE (III) ION, ... | Authors: | Wilson, K.S, Duhme-Klair, A.-K, Blagova, E.V, Miller, A, Booth, R, Dodson, E.J. | Deposit date: | 2022-10-24 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
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6DK9
| Yeast Ddi2 Cyanamide Hydratase | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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7AQT
| NMR2 structure of BRD4-BD2 in complex with iBET-762 | Descriptor: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | Authors: | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | Deposit date: | 2020-10-23 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24. J.Med.Chem., 65, 2022
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6GTB
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB211 | Descriptor: | 1,2-ETHANEDIOL, 17-beta-hydroxysteroid dehydrogenase 14, 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2018-06-18 | Release date: | 2019-09-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.619 Å) | Cite: | X-ray Crystallographic Fragment screening and Hit Optimization To Be Published
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4Z02
| Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ... | Authors: | DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-25 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid to be published
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5Y1V
| Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,6-diethylphenyl)ureido)- N-hydroxy-4-methylpentanamide | Descriptor: | (2R)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-21 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2,6-diethylphenyl)ureido)- N-hydroxy-4-methylpentanamide To Be Published
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6DKA
| Yeast Ddi2 Cyanamide Hydratase | Descriptor: | CYANAMIDE, DNA damage-inducible protein, SULFATE ION, ... | Authors: | Moore, S.A, Xiao, W, Li, J. | Deposit date: | 2018-05-29 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae. J.Biol.Chem., 294, 2019
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5II1
| Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one | Descriptor: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-01 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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6GVJ
| Human Mps1 kinase domain with ordered activation loop | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, GLYCEROL | Authors: | Roorda, J.C, Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2018-06-21 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A crystal structure of the human protein kinase Mps1 reveals an ordered conformation of the activation loop. Proteins, 87, 2019
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8BAQ
| E. coli C7 DarT1 in complex with NAD+ | Descriptor: | 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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6DMI
| A multiconformer ligand model of 5T5 bound to BACE-1 | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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6GTP
| Structure of the AtaT Y144F mutant toxin | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2018-06-18 | Release date: | 2019-03-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol., 15, 2019
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8BAU
| Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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6SLT
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4Z0Z
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5DDQ
| L-glutamine riboswitch bound with L-glutamine soaked with Mn2+ | Descriptor: | GLUTAMINE, L-glutamine riboswitch RNA (61-MER), MAGNESIUM ION, ... | Authors: | Ren, A, Patel, D.J. | Deposit date: | 2015-08-25 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch. Cell Rep, 13, 2015
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7NER
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5IJT
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6GXG
| Tryparedoxin from Trypanosoma brucei in complex with CFT | Descriptor: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin | Authors: | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | Deposit date: | 2018-06-27 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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6VY0
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