8PYX
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8PLS
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![BU of 8pls by Molmil](/molmil-images/mine/8pls) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 29. | Descriptor: | 1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8Q3B
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![BU of 8q3b by Molmil](/molmil-images/mine/8q3b) | The closed state of the ASFV apo-RNA polymerase | Descriptor: | DNA-directed RNA polymerase RPB1 homolog, DNA-directed RNA polymerase RPB10 homolog, DNA-directed RNA polymerase RPB2 homolog, ... | Authors: | Pilotto, S, Sykora, M, Cackett, G, Werner, F. | Deposit date: | 2023-08-03 | Release date: | 2024-02-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structure of the recombinant RNA polymerase from African Swine Fever Virus. Nat Commun, 15, 2024
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8PQ0
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![BU of 8pq0 by Molmil](/molmil-images/mine/8pq0) | Structure of human PARK7 in complex with GK16R | Descriptor: | (3~{R})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioic acid, Parkinson disease protein 7 | Authors: | Grethe, C, Gersch, M. | Deposit date: | 2023-07-10 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | N-Cyanopiperazines as Specific Covalent Inhibitors of the Deubiquitinating Enzyme UCHL1. Angew.Chem.Int.Ed.Engl., 63, 2024
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8PL0
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![BU of 8pl0 by Molmil](/molmil-images/mine/8pl0) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 1. | Descriptor: | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLK
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![BU of 8plk by Molmil](/molmil-images/mine/8plk) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 21. | Descriptor: | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8Q0S
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![BU of 8q0s by Molmil](/molmil-images/mine/8q0s) | X-ray structure of the single chain monellin derivative MNEI | Descriptor: | ACETATE ION, GLYCEROL, Monellin chain B,Monellin chain A, ... | Authors: | Ferraro, G, Merlino, A, Lucignano, R, Picone, D. | Deposit date: | 2023-07-29 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials. Int.J.Biol.Macromol., 254, 2024
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8PL2
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![BU of 8pl2 by Molmil](/molmil-images/mine/8pl2) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 3. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PPP
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8PLF
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![BU of 8plf by Molmil](/molmil-images/mine/8plf) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 16. | Descriptor: | 5-methoxy-1,3-benzothiazol-2-amine, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PL4
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![BU of 8pl4 by Molmil](/molmil-images/mine/8pl4) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 5. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PL5
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![BU of 8pl5 by Molmil](/molmil-images/mine/8pl5) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 6. | Descriptor: | 1-[4-(cyclopropylamino)piperidin-1-yl]ethanone, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLH
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![BU of 8plh by Molmil](/molmil-images/mine/8plh) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 18. | Descriptor: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLI
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![BU of 8pli by Molmil](/molmil-images/mine/8pli) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 19. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-(4-methoxyphenyl)glycinamide, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLT
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![BU of 8plt by Molmil](/molmil-images/mine/8plt) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 30. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PTC
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![BU of 8ptc by Molmil](/molmil-images/mine/8ptc) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase | Authors: | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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8PP0
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![BU of 8pp0 by Molmil](/molmil-images/mine/8pp0) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147 | Descriptor: | 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties. J.Med.Chem., 67, 2024
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8Q90
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![BU of 8q90 by Molmil](/molmil-images/mine/8q90) | Halophilic Lrp transcription factor | Descriptor: | AsnC family transcriptional regulator | Authors: | Garcia-Bonete, M.J, Bonete, M.-J. | Deposit date: | 2023-08-19 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Global Lrp regulator protein from Haloferax mediterranei: Transcriptional analysis and structural characterization. Int.J.Biol.Macromol., 260, 2024
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8PYY
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7B00
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![BU of 7b00 by Molmil](/molmil-images/mine/7b00) | Human LAT2-4F2hc complex in the apo-state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, Isoform 2 of 4F2 cell-surface antigen heavy chain, ... | Authors: | Rodriguez, C.F, Escudero-Bravo, P, Garcia-Martin, C, Boskovic, J, Errasti-Murugarren, E, Palacin, M, Llorca, O. | Deposit date: | 2020-11-17 | Release date: | 2021-10-27 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis for substrate specificity of heteromeric transporters of neutral amino acids. Proc Natl Acad Sci U S A, 118, 2021
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8PL3
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![BU of 8pl3 by Molmil](/molmil-images/mine/8pl3) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 4. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8Q8K
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![BU of 8q8k by Molmil](/molmil-images/mine/8q8k) | KI Polyomavirus LTA NLS bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, Large T antigen | Authors: | Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-08-18 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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8PLJ
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![BU of 8plj by Molmil](/molmil-images/mine/8plj) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 20. | Descriptor: | 1-(2-cyanoethanoyl)piperidine-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLA
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![BU of 8pla by Molmil](/molmil-images/mine/8pla) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 11. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PL9
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![BU of 8pl9 by Molmil](/molmil-images/mine/8pl9) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 10. | Descriptor: | 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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