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3UL5
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BU of 3ul5 by Molmil
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
3UL6
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BU of 3ul6 by Molmil
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
8SJ5
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BU of 8sj5 by Molmil
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
6VLP
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BU of 6vlp by Molmil
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
5SV2
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BU of 5sv2 by Molmil
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
4Z51
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BU of 4z51 by Molmil
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
4Z54
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BU of 4z54 by Molmil
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
5W4C
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BU of 5w4c by Molmil
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
3SOP
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BU of 3sop by Molmil
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
6E5M
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BU of 6e5m by Molmil
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
6EAV
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BU of 6eav by Molmil
Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 4(1) 2(1) 2
Descriptor: CALCIUM ION, CYS-THR-LYS, 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 (1.391 Å)
Cite:Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 4(1) 2(1) 2
To Be Published
6EAW
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BU of 6eaw by Molmil
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:2023-10-11
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
6EAX
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BU of 6eax by Molmil
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
6EAU
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BU of 6eau by Molmil
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
6EAT
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BU of 6eat by Molmil
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
6WB3
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BU of 6wb3 by Molmil
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
6WBE
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BU of 6wbe by Molmil
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
6WBP
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BU of 6wbp by Molmil
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
6WCU
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BU of 6wcu by Molmil
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
6WSM
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BU of 6wsm by Molmil
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
6AWE
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BU of 6awe by Molmil
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
6B4Q
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BU of 6b4q by Molmil
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
6B71
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BU of 6b71 by Molmil
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:2023-10-04
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
6B7I
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BU of 6b7i by Molmil
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
6B37
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BU of 6b37 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,3-benzothiazol-2-ol
Descriptor: 1,3-benzothiazol-2-ol, 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:2017-09-21
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,3-benzothiazol-2-ol
To Be Published

 

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