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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5IRR
 | | Crystal structure of Septin GTPase domain from Chlamydomonas reinhardtii | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Septin-like protein | | Authors: | Pinto, A.P.A, Pereira, H.M, Navarro, M.V.A.S, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U. | | Deposit date: | 2016-03-14 | | Release date: | 2017-04-26 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Filaments and fingers: Novel structural aspects of the single septin from Chlamydomonas reinhardtii.
J. Biol. Chem., 292, 2017
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6Y84
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
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6G5N
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | | Descriptor: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2018-03-29 | | Release date: | 2018-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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4L5A
 | | Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with tubercidin | | Descriptor: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, S-methyl-5'-thioadenosine phosphorylase, SULFATE ION | | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2013-06-10 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2993 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
Plos Negl Trop Dis, 10, 2016
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4L5C
 | | Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121 | | Descriptor: | ADENINE, GLYCEROL, S-methyl-5'-thioadenosine phosphorylase | | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2013-06-10 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.075 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
Plos Negl Trop Dis, 10, 2016
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4L5Y
 | | Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form | | Descriptor: | PHOSPHATE ION, S-methyl-5'-thioadenosine phosphorylase | | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2013-06-11 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.0957 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
Plos Negl Trop Dis, 10, 2016
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4L6I
 | | Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine | | Descriptor: | ADENINE, S-methyl-5'-thioadenosine phosphorylase, SULFATE ION | | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2013-06-12 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
Plos Negl Trop Dis, 10, 2016
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6G5P
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine | | Descriptor: | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2018-03-29 | | Release date: | 2018-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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5KH6
 | | SETDB1 in complex with a fragment candidate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | SETDB1 in complex with a fragment candidate
To be published
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5KK8
 | | Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase | | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-06-21 | | Release date: | 2017-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
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5KO5
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine | | Descriptor: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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5KO6
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine and ribose-1-phosphate | | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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4KV9
 | | GTPase domain of Septin 10 from Schistosoma mansoni in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Septin | | Authors: | Zeraik, A.E, Pereira, H.M, Santos, Y.V, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U, Demarco, R. | | Deposit date: | 2013-05-22 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
J.Biol.Chem., 289, 2014
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4KVA
 | | GTPase domain of Septin 10 from Schistosoma mansoni in complex with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Septin | | Authors: | Zeraik, A.E, Pereira, H.M, Santos, Y.V, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U, Demarco, R. | | Deposit date: | 2013-05-22 | | Release date: | 2014-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
J.Biol.Chem., 289, 2014
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7N83
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438 | | Descriptor: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-12 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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4TX8
 | | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ... | | Authors: | Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
To Be Published
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5KKG
 | | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | | Deposit date: | 2016-06-21 | | Release date: | 2017-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.608 Å) | | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
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5K27
 | | Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. | | Descriptor: | ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT | | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | | Deposit date: | 2016-05-18 | | Release date: | 2017-05-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
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7N7W
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569 | | Descriptor: | N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7N7U
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7 | | Descriptor: | 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7N7R
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267 | | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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7N7Y
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050 | | Descriptor: | Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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5D9G
 | | Crystal structure of TIPRL, TOR signaling pathway regulator-like, in complex with peptide | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Scorsato, V, Sandy, J, Brandao-Neto, J, Pereira, H.M, Smetana, J.H.C, Aparicio, R. | | Deposit date: | 2015-08-18 | | Release date: | 2016-08-10 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the human Tip41 orthologue, TIPRL, reveals a novel fold and a binding site for the PP2Ac C-terminus.
Sci Rep, 6, 2016
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5CXS
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Purine nucleoside phosphorylase | | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2015-07-29 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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