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PDB: 2023 results

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
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
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
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
7NW2
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BU of 7nw2 by Molmil
Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
6G5P
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BU of 6g5p by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
Descriptor: (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2018-03-29
Release date:2018-04-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
5AMF
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BU of 5amf by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening)
Descriptor: BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION
Authors:Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
5AME
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BU of 5ame by Molmil
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)
Descriptor: 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION
Authors:Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F.
Deposit date:2015-03-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
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
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
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
3VAS
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BU of 3vas by Molmil
Adenosine kinase from Schistosoma mansoni in complex with adenosine in occluded loop conformation
Descriptor: ADENOSINE, CHLORIDE ION, Putative adenosine kinase
Authors:Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M.
Deposit date:2011-12-29
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
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
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
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
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
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
6MQ9
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BU of 6mq9 by Molmil
Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Septin-12
Authors:Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C.
Deposit date:2018-10-09
Release date:2019-11-20
Last modified:2023-10-11
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, 7, 2020
6N0B
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BU of 6n0b by Molmil
Structure of GTPase Domain of Human Septin 7 at High Resolution
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Septin-7
Authors:Brognara, G, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C.
Deposit date:2018-11-07
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Revisiting SEPT7 and the slippage of beta-strands in the septin family.
J.Struct.Biol., 207, 2019

223532

數據於2024-08-07公開中

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