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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
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
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
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
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
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
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
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
4TX8
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BU of 4tx8 by Molmil
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
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
6UQQ
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BU of 6uqq by Molmil
Crystal Structure of GTPase Domain of Human Septin 7 / Septin 3 T282Y Heterocomplex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Neuronal-specific septin-3, Septin-7
Authors:Bragnara, G, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C.
Deposit date:2019-10-21
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 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
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
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
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
7N83
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BU of 7n83 by Molmil
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
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
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
7N7U
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BU of 7n7u by Molmil
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
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
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

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