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PDB: 2021 results

6Q8Z
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BU of 6q8z by Molmil
Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2018-12-16
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
To Be Published
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
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
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
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
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
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
5KKG
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BU of 5kkg by Molmil
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
6NDN
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BU of 6ndn by Molmil
Crystal Structure of Selenocysteine Lyase from Escherichia coli
Descriptor: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
Authors:Scortecci, J.F, Brandao-Neto, J, Pereira, H.M, Thiemann, O.H.
Deposit date:2018-12-14
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Crystal Structure of Selenocysteine Lyase from Escherichia coli
To Be Published
6N12
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BU of 6n12 by Molmil
Structure of GTPase Domain of Human Septin 7 at High Resolution
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-7
Authors:Brognara, G, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C.
Deposit date:2018-11-08
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Revisiting SEPT7 and the slippage of beta-strands in the septin family.
J.Struct.Biol., 207, 2019
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
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
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
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
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
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
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
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
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

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