5Z4W
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![BU of 5z4w by Molmil](/molmil-images/mine/5z4w) | Crystal structure of signalling protein from buffalo (SPB-40) with an altered conformation of Trp78 at 1.79 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, ... | Authors: | Singh, P.K, Chaudhary, A, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-01-15 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies. Arch. Biochem. Biophys., 644, 2018
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6RKF
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![BU of 6rkf by Molmil](/molmil-images/mine/6rkf) | Structure of human DASPO | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-aspartate oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Chaves-Sanjuan, A, Nardini, M. | Deposit date: | 2019-04-30 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.219 Å) | Cite: | Structure and kinetic properties of human d-aspartate oxidase, the enzyme-controlling d-aspartate levels in brain. Faseb J., 34, 2020
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1RW1
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![BU of 1rw1 by Molmil](/molmil-images/mine/1rw1) | YFFB (PA3664) PROTEIN | Descriptor: | ISOPROPYL ALCOHOL, conserved hypothetical protein yffB | Authors: | Teplyakov, A, Pullalarevu, S, Obmolova, G, Doseeva, V, Galkin, A, Herzberg, O, Dauter, M, Dauter, Z, Gilliland, G.L, Structure 2 Function Project (S2F) | Deposit date: | 2003-12-15 | Release date: | 2004-11-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Crystal structure of the YffB protein from Pseudomonas aeruginosa suggests a glutathione-dependent thiol reductase function. Bmc Struct.Biol., 4, 2004
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5ZDI
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![BU of 5zdi by Molmil](/molmil-images/mine/5zdi) | |
5Z7P
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![BU of 5z7p by Molmil](/molmil-images/mine/5z7p) | SmChiA sliding-intermediate with chitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL | Authors: | Nakamura, A, Iino, R. | Deposit date: | 2018-01-30 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin. Nat Commun, 9, 2018
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5ZDO
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![BU of 5zdo by Molmil](/molmil-images/mine/5zdo) | Crystal Structure Analysis of TtQRS in co-crystallised with ATP | Descriptor: | CHLORIDE ION, Glutamine-tRNA ligase | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | Deposit date: | 2018-02-23 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes Int. J. Biol. Macromol., 120, 2018
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5XM7
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![BU of 5xm7 by Molmil](/molmil-images/mine/5xm7) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-4-methyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-05-12 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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8PK3
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![BU of 8pk3 by Molmil](/molmil-images/mine/8pk3) | CryoEM reconstruction of hemagglutinin HK68 of Influenza A virus bound to an Affimer reagent | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer molecule (A31), ... | Authors: | Debski-Antoniak, O, Flynn, A, Klebl, D.P, Tiede, C, Muench, S, Tomlinson, D, Fontana, J. | Deposit date: | 2023-06-24 | Release date: | 2024-01-03 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Exploiting the Affimer platform against influenza A virus To Be Published
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6RH2
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![BU of 6rh2 by Molmil](/molmil-images/mine/6rh2) | Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 5.3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ... | Authors: | Mideros-Mora, C, Casino, P, Marina, A. | Deposit date: | 2019-04-18 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
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5X5V
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![BU of 5x5v by Molmil](/molmil-images/mine/5x5v) | Crystal structure of pseudorabies virus glycoprotein D | Descriptor: | GD | Authors: | Li, A, Lu, G, Qi, J, Wu, L, Tian, K, Luo, T, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2017-02-17 | Release date: | 2017-04-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of pseudorabies virus glycoprotein D To Be Published
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6D37
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8PFK
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![BU of 8pfk by Molmil](/molmil-images/mine/8pfk) | RNA structure with 1-methylpseudoridine, C2 space group | Descriptor: | MAGNESIUM ION, RNA (12-mer) | Authors: | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | Deposit date: | 2023-06-16 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
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8PFQ
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![BU of 8pfq by Molmil](/molmil-images/mine/8pfq) | RNA structure with 1-methylpseudoridine, P1 space group | Descriptor: | Chains: A,B, MAGNESIUM ION | Authors: | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | Deposit date: | 2023-06-16 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
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5XFE
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![BU of 5xfe by Molmil](/molmil-images/mine/5xfe) | Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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5XIK
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![BU of 5xik by Molmil](/molmil-images/mine/5xik) | Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with tetrahydro quinazolinone febrifugine | Descriptor: | 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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8PDD
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![BU of 8pdd by Molmil](/molmil-images/mine/8pdd) | Thioredoxin glutathione reductase of Schistosoma mansoni at 1.25A resolution. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | 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: | 2023-06-12 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 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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8PLQ
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![BU of 8plq by Molmil](/molmil-images/mine/8plq) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 27. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(1-ethylbenzimidazol-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 (2.29 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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8PL7
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![BU of 8pl7 by Molmil](/molmil-images/mine/8pl7) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 8. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-morpholin-4-ylcarbothioylfuran-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 (1.77 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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8PL6
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![BU of 8pl6 by Molmil](/molmil-images/mine/8pl6) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 7. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate | 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 (1.81 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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8PLM
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![BU of 8plm by Molmil](/molmil-images/mine/8plm) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 23. | Descriptor: | 1-{4-[(2-methoxyethyl)amino]piperidin-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 (1.95 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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8PLD
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![BU of 8pld by Molmil](/molmil-images/mine/8pld) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 14. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-Benzyl-2-methoxyacetamide, 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 (1.85 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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8PLU
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![BU of 8plu by Molmil](/molmil-images/mine/8plu) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 31. | Descriptor: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide, 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 (2.04 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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8PLX
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![BU of 8plx by Molmil](/molmil-images/mine/8plx) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 34. | Descriptor: | 4-(4-fluorophenyl)piperazine-1-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 (1.77 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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8PL1
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![BU of 8pl1 by Molmil](/molmil-images/mine/8pl1) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 2. | Descriptor: | 5-(methoxymethyl)-1,3,4-thiadiazol-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 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.46 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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8PL8
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![BU of 8pl8 by Molmil](/molmil-images/mine/8pl8) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 9. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-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 (2.35 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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