8QQU
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8QK9
| Structure of E. coli LpxH in complex with JEDI-1444 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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1KEY
| Crystal Structure of Mouse Testis/Brain RNA-binding Protein (TB-RBP) | Descriptor: | translin | Authors: | Pascal, J.M, Hart, P.J, Hecht, N.B, Robertus, J.D. | Deposit date: | 2001-11-19 | Release date: | 2002-07-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structure of TB-RBP, a Novel RNA-binding and Regulating Protein J.Mol.Biol., 319, 2002
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5YTA
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8QK5
| Structure of K. pneumoniae LpxH in complex with EBL-3647 | Descriptor: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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5URI
| Rat CYPOR/D632A with 2'-AMP | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Xia, C, Kim, J.J. | Deposit date: | 2017-02-10 | Release date: | 2018-02-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer. Biochemistry, 57, 2018
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8A2N
| Structure of crocagin biosynthetic protein CgnD | Descriptor: | CgnD, SULFATE ION | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2022-06-06 | Release date: | 2023-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis. Nat.Chem., 15, 2023
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7JMU
| Hen egg-white lysozyme with ionic liquid ethylammonium nitrate | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C. | Deposit date: | 2020-08-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study. J Colloid Interface Sci, 585, 2021
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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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3BZK
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8PLG
| Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 17. | Descriptor: | 2-(4-ethoxyphenyl)ethanoic acid, 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 (1.75 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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5UTP
| Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to N-ethylbutyryl-PUGNAc | Descriptor: | Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide | Authors: | Vadlamani, G, Mark, B.L. | Deposit date: | 2017-02-15 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance. Protein Sci., 26, 2017
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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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5BNT
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5V94
| Pekin duck egg lysozyme isoform III (DEL-III), cubic form | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2017-03-22 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of antigen recognition: crystal structure of duck egg lysozyme. Acta Crystallogr D Struct Biol, 73, 2017
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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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8JSC
| Structure of the FSP1 protein from Human | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, S.T, Jia, D. | Deposit date: | 2023-06-19 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | FSP1 oxidizes NADPH to suppress ferroptosis. Cell Res., 33, 2023
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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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1KWJ
| solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans, minimized average structure | Descriptor: | HEME C, cytochrome c7 | Authors: | Assfalg, M, Bertini, I, Turano, P, Bruschi, M, Durand, M.C, Giudici-Orticoni, M.T, Dolla, A. | Deposit date: | 2002-01-29 | Release date: | 2002-02-06 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications. J.Biomol.NMR, 22, 2002
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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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5IJ5
| Crystal structure of Equine Serum Albumin in the presence of 50 mM zinc at pH 4.5 | Descriptor: | GLYCEROL, Serum albumin, ZINC ION | Authors: | Handing, K.B, Majorek, K.A, Shabalin, I.G, Cymborowski, M.T, Zheng, H, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2016-03-01 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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8DYZ
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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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1KX8
| Antennal Chemosensory Protein A6 from Mamestra brassicae, tetragonal form | Descriptor: | CHEMOSENSORY PROTEIN A6 | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | Deposit date: | 2002-01-31 | Release date: | 2002-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray Structure and Ligand Binding Study of a Chemosensory Protein J.Biol.Chem., 277, 2002
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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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