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PDB: 2021 results

5F7J
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BU of 5f7j by Molmil
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, PHOSPHATE ION
Authors:Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-08
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 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
5F7Z
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BU of 5f7z by Molmil
Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in APO Form
Descriptor: Methylthioadenosine phosphorylase, PHOSPHATE ION
Authors:Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-08
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 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
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
4WCH
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BU of 4wch by Molmil
Structure of Isolated D Chain of Gigant Hemoglobin from Glossoscolex paulistus
Descriptor: Isolated Chain D of Gigant Hemoglobin from Glossoscolex Paulistus, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bachega, J.F.R, Maluf, F.V, Pereira, H.M, Brandao-Neto, J, Tabak, M, Garratt, R.C, Horjales, E.
Deposit date:2014-09-04
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of the giant haemoglobin from Glossoscolex paulistus.
Acta Crystallogr.,Sect.D, 71, 2015
7OZX
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BU of 7ozx by Molmil
Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
Descriptor: (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2021-06-29
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
To Be Published
4GMK
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BU of 4gmk by Molmil
Crystal Structure of Ribose 5-Phosphate Isomerase from the Probiotic Bacterium Lactobacillus salivarius UCC118
Descriptor: PHOSPHATE ION, POTASSIUM ION, Ribose-5-phosphate isomerase A
Authors:Lobley, C.M.C, Aller, P, Douangamath, A, Reddivari, Y, Bumann, M, Bird, L.E, Brandao-Neto, J, Owens, R.J, O'Toole, P.W, Walsh, M.A.
Deposit date:2012-08-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure of ribose 5-phosphate isomerase from the probiotic bacterium Lactobacillus salivarius UCC118.
Acta Crystallogr.,Sect.F, 68, 2012
5TIR
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BU of 5tir by Molmil
Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Mendoza, E.R, Brandao-Neto, J, Pereira, H.M, Ferreira Junior, J.R.S, Garratt, R.C.
Deposit date:2016-10-03
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei
To Be Published
4DC3
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BU of 4dc3 by Molmil
Adenosine kinase from Schistosoma mansoni in complex with 2-fluoroadenosine
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, ADENOSINE, Adenosine kinase, ...
Authors:Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M.
Deposit date:2012-01-17
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
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
4TXL
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BU of 4txl by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with uracil
Descriptor: SULFATE ION, URACIL, Uridine phosphorylase
Authors:Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2014-07-03
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
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
4TXN
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BU of 4txn by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with 5-fluorouracil
Descriptor: 5-FLUOROURACIL, SULFATE ION, Uridine phosphorylase
Authors:Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2014-07-03
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
4TXH
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BU of 4txh by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form
Descriptor: SULFATE ION, Uridine phosphorylase
Authors:Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M.
Deposit date:2014-07-03
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
4TXJ
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BU of 4txj by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine
Descriptor: SULFATE ION, THYMIDINE, Uridine phosphorylase
Authors:Torini, J, Marinho, A, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2014-07-03
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
4TXM
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BU of 4txm by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymine
Descriptor: SULFATE ION, THYMINE, Uridine phosphorylase
Authors:Marinho, A, Torini, J, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2014-07-03
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
5IOL
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BU of 5iol by Molmil
Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni
Descriptor: 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:2016-03-08
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
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
6YB7
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BU of 6yb7 by Molmil
SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19).
Descriptor: 3C-like proteinase, DI(HYDROXYETHYL)ETHER, 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:2020-03-16
Release date:2020-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
5IOM
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BU of 5iom by Molmil
Crystal Structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni is space group P6322
Descriptor: 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:2016-03-08
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
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
5BMN
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BU of 5bmn by Molmil
Crystal Structure of APO form of Phosphoglucomutase from Xanthomonas citri
Descriptor: MAGNESIUM ION, Phosphoglucomutase
Authors:Goto, L.S, Pereira, H.M, Novo Mansur, M.T.M, Brandao-Neto, J.
Deposit date:2015-05-22
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural and functional characterization of the phosphoglucomutase from Xanthomonas citri subsp. citri.
Biochim.Biophys.Acta, 1864, 2016
6Y84
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BU of 6y84 by Molmil
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
6B90
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BU of 6b90 by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6B8Z
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BU of 6b8z by Molmil
Multiconformer model of WT PTP1B with BB3 at 273 K
Descriptor: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018

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