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PDB: 2021 results

4TX7
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BU of 4tx7 by Molmil
Crystal structure of chitinase (GH19) from Vigna unguiculata
Descriptor: Class I chitinase
Authors:Pereira, H.M, Castro-Landin, P.G, 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 (1.55 Å)
Cite:Production in Pichia pastoris, antifungal activity and crystal structure of a class I chitinase from cowpea (Vigna unguiculata): Insights into sugar binding mode and hydrolytic action.
Biochimie, 2017
7N7W
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BU of 7n7w by Molmil
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
7N7U
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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
7N7R
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BU of 7n7r by Molmil
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
7N7Y
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BU of 7n7y by Molmil
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
6UPR
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BU of 6upr by Molmil
Crystal Structure of GTPase Domain of Human Septin 2 / Septin 8 Heterocomplex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Leonardo, D.A, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C.
Deposit date:2019-10-18
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Molecular Recognition at Septin Interfaces: The Switches Hold the Key.
J.Mol.Biol., 432, 2020
6UPQ
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BU of 6upq by Molmil
Crystal Structure of GTPase Domain of Human Septin 2 / Septin 11 Heterocomplex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Leonardo, D.A, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C.
Deposit date:2019-10-18
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular Recognition at Septin Interfaces: The Switches Hold the Key.
J.Mol.Biol., 432, 2020
6UPA
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BU of 6upa by Molmil
Crystal Structure of GTPase Domain of Human Septin 2/Septin 6 Heterocomplex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rosa, H.V.D, Brandao-Neto, J, Martins, C, Araujo, A.P.U, Pereira, H.M, Garratt, R.C.
Deposit date:2019-10-17
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Molecular Recognition at Septin Interfaces: The Switches Hold the Key.
J.Mol.Biol., 432, 2020
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
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
5IPF
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BU of 5ipf by Molmil
Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID
Authors:Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases.
Mol. Biochem. Parasitol., 229, 2019
5EYV
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BU of 5eyv by Molmil
Crystal Structure of Adenylosuccinate lyase from Schistosoma mansoni in APO form.
Descriptor: Adenylosuccinate lyase
Authors:Romanello, L, Torini, J.R, Bird, L.E, Nettleship, J.E, Owens, R.J, Reddivari, Y, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-11-25
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
5KH6
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BU of 5kh6 by Molmil
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
5KK8
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BU of 5kk8 by Molmil
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
5D9G
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BU of 5d9g by Molmil
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
5EYT
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BU of 5eyt by Molmil
Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase
Authors:Romanello, L, Torini, J.R, Bird, L, Nettleship, J, Owens, R, Reddivari, Y, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-11-25
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3649 Å)
Cite:Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
6MQL
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BU of 6mql by Molmil
Crystal Structure of GTPase Domain of Human Septin 12 Mutant T89M
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-12
Authors:Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C.
Deposit date:2018-10-10
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure of GTPase Domain of Human Septin 12
To Be Published
5CXS
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BU of 5cxs by Molmil
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
5KO5
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BU of 5ko5 by Molmil
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
5KO6
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BU of 5ko6 by Molmil
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
5CXQ
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BU of 5cxq by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in APO form
Descriptor: 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 (1.57 Å)
Cite:The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
5F73
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BU of 5f73 by Molmil
Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 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
5F77
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BU of 5f77 by Molmil
Crystal structure of Mutant S12T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 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
5F76
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BU of 5f76 by Molmil
Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 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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