5LNC
 
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6HDM
 | | R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.3 A. | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ... | | Authors: | Robertson, A.J, Bisson, C, Waltho, J.P. | | Deposit date: | 2018-08-17 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
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5LFV
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7KGZ
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5LNK
 | | Entire ovine respiratory complex I | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ... | | Authors: | Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A. | | Deposit date: | 2016-08-04 | | Release date: | 2016-11-23 | | Last modified: | 2021-06-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Atomic structure of the entire mammalian mitochondrial complex I.
Nature, 538, 2016
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6U7J
 | | Uncultured Clostridium sp. Beta-glucuronidase | | Descriptor: | Beta-glucuronidase, CALCIUM ION | | Authors: | Ervin, S.M, Redinbo, M.R. | | Deposit date: | 2019-09-03 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
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6AX7
 | | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | | Descriptor: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
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8PHE
 | | ACAD9-WT in complex with ECSIT-CTER | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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8PHF
 | | Cryo-EM structure of human ACAD9-S191A | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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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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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 | | Last modified: | 2024-10-16 | | 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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3O3P
 | | Crystal structure of R. xylanophilus MpgS in complex with GDP-Mannose | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | | Authors: | Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S. | | Deposit date: | 2010-07-25 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.529 Å) | | Cite: | Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
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6AY6
 | | Naegleria fowleri CYP51-voriconazole complex | | Descriptor: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2017-09-07 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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6AY0
 | | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide | | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-09-07 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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6U76
 | | Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens. | | Descriptor: | methanesulfinate monooxygenase | | Authors: | Soule, J, Gnann, A.D, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | To be published
To Be Published
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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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6KWS
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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 | | Last modified: | 2024-10-09 | | 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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2ZYJ
 | | Crystal structure of LysN, alpha-aminoadipate aminotransferase (complexed with N-(5'-phosphopyridoxyl)-L-glutamate), from Thermus thermophilus HB27 | | Descriptor: | Alpha-aminodipate aminotransferase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid | | Authors: | Ouchi, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2009-01-26 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Dual roles of a conserved pair, Arg23 and Ser20, in recognition of multiple substrates in alpha-aminoadipate aminotransferase from Thermus thermophilus.
Biochem.Biophys.Res.Commun., 388, 2009
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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 | | Last modified: | 2024-10-16 | | 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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4XR7
 | | Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex | | Descriptor: | PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3 | | Authors: | Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E. | | Deposit date: | 2015-01-20 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.796 Å) | | Cite: | The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
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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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6AZU
 | | Holo IDO1 crystal structure | | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Lewis, H.A, Yan, C. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6TUX
 | | human XPG-DNA, Complex 2 | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*AP*GP*TP*T)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells | | Authors: | Ruiz, F.M, Fernandez-Tornero, C. | | Deposit date: | 2020-01-08 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
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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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