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PDB: 2021 results

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
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
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
6QJE
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BU of 6qje by Molmil
Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, Galactokinase, ...
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:2019-01-24
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
To Be Published
6Q90
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BU of 6q90 by Molmil
Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ...
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 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
To Be Published
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
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
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
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
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
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
5K27
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BU of 5k27 by Molmil
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
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
6Q91
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BU of 6q91 by Molmil
Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ...
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:2018-12-17
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 5-Chloro-N-isobutyl-2-methoxybenzamide
To Be Published
6Q3W
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BU of 6q3w by Molmil
Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
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:2018-12-04
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
To Be Published
5IRR
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BU of 5irr by Molmil
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
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
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
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

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PDB entries from 2024-04-24

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