8SJ5
 
 | | Walnut Tree Phytocystatin | | Descriptor: | Cysteine proteinase inhibitor | | Authors: | Valadares, N.F. | | Deposit date: | 2023-04-17 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure and interconversion of monomers and domain-swapped dimers of the walnut tree phytocystatin.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
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5SV2
 | | Toxin VapC21 from Mycobacterium tuberculosis | | Descriptor: | Ribonuclease VapC21 | | Authors: | Valadares, N.F. | | Deposit date: | 2016-08-04 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Crystal structure of VapC21 from Mycobacterium tuberculosis at 1.31 angstrom resolution.
Biochem.Biophys.Res.Commun., 478, 2016
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4Z54
 | | High Resolution Human Septin3 GTPase domain with alpha-zero helix in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Neuronal-specific septin-3 | | Authors: | Valadares, N.F, Macedo, J.N, Pereira, H.M, Brandao-Neto, J, Matos, S.O, Leonardo, D.A, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2015-04-02 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
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4Z51
 | | High Resolution Human Septin 3 GTPase domain | | Descriptor: | MAGNESIUM ION, Neuronal-specific septin-3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Valadares, N.F, Macedo, J.N, Leonardo, D.A, Brandao-Neto, J, Pereira, H.M, Matos, S.O, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2015-04-02 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
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3UL6
 | | Saccharum officinarum canecystatin-1 in space group P6422 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Canecystatin-1 | | Authors: | Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C. | | Deposit date: | 2011-11-10 | | Release date: | 2012-12-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
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3UL5
 | | Saccharum officinarum canecystatin-1 in space group C2221 | | Descriptor: | Canecystatin-1, GLYCEROL, SODIUM ION | | Authors: | Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C. | | Deposit date: | 2011-11-10 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
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6VLP
 | | Hop phytocystatin in space group C2221 | | Descriptor: | Hop1, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Valadares, N.F, Moura, G.T. | | Deposit date: | 2020-01-24 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.681 Å) | | Cite: | Crystal structure and physicochemical characterization of a phytocystatin from Humulus lupulus: Insights into its domain-swapped dimer
Biochim Biophys Acta Proteins Proteom, 1869, 2020
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5W4C
 | | Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation) | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bravo-Chaucanes, C.P, Valadares, N.F, Felipe, M.S.S, Barbosa, J.A.R.G. | | Deposit date: | 2017-06-09 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation)
To be published
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6WCU
 | | Crystal structure of coiled coil region of human septin 5 | | Descriptor: | Septin-5 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-31 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6WSM
 | | Crystal structure of coiled coil region of human septin 8 | | Descriptor: | SULFATE ION, Septin-8 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6AWE
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile | | Descriptor: | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
To Be Published
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6B71
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole | | Descriptor: | 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-10-03 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
To Be Published
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3SOP
 | | Crystal Structure Of Human Septin 3 GTPase Domain | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Neuronal-specific septin-3 | | Authors: | Marques, I.A, Macedo, J.N.A, Pereira, H.M, Valadares, N.F, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2011-06-30 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.885 Å) | | Cite: | The structure and properties of septin 3: a possible missing link in septin filament formation.
Biochem.J., 450, 2013
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6WB3
 | | Crystal structure of coiled coil region of human septin 4 | | Descriptor: | ACETATE ION, SULFATE ION, Septin-4 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-26 | | Release date: | 2021-03-17 | | Last modified: | 2021-03-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6WBE
 | | Crystal structure of coiled coil region of human septin 1 | | Descriptor: | ACETATE ION, Septin-1, ZINC ION | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-26 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6WBP
 | | Crystal structure of coiled coil region of human septin 6 | | Descriptor: | CITRIC ACID, SULFATE ION, Septin-6 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-27 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6E5M
 | | Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 32 2 1 | | Descriptor: | 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-07-20 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.612 Å) | | Cite: | Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
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6EAV
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6EAW
 | | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | | Descriptor: | CALCIUM ION, CYS-THR-LYS-SER-ILE, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.289 Å) | | Cite: | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
To Be Published
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6EAX
 | | Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | | Descriptor: | CALCIUM ION, CYS-THR-LYS-SER-ILE-CYS, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.189 Å) | | Cite: | Crystallographic structure of the cyclic hexapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21
To Be Published
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6EAU
 | | Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. | | Descriptor: | CALCIUM ION, CYS-THR-LYS-SER-ILE-PRO-PRO-CYS, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-08-03 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.
To Be Published
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6EAT
 | | Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. | | Descriptor: | 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | Deposit date: | 2018-08-03 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
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6B4Q
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with pyridin-4-ol | | Descriptor: | DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, pyridin-4-ol | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with pyridine-4-ol
To Be Published
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6B7I
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid | | Descriptor: | (2S)-(3,5-difluorophenyl)(hydroxy)acetic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-10-04 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid
To Be Published
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6AXA
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (3S)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one | | Descriptor: | (3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
To Be Published
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