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PDB: 2021 results

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
6ZH0
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BU of 6zh0 by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
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:2020-06-20
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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
5KH9
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BU of 5kh9 by Molmil
Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ...
Authors:Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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
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
4L5A
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BU of 4l5a by Molmil
Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with tubercidin
Descriptor: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, S-methyl-5'-thioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2013-06-10
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2993 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
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
4L5C
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BU of 4l5c by Molmil
Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121
Descriptor: ADENINE, GLYCEROL, S-methyl-5'-thioadenosine phosphorylase
Authors:Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2013-06-10
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.075 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
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
6MQB
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BU of 6mqb by Molmil
Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP in Space Group C2221
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:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface.
Iucrj, 7, 2020
4L6I
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BU of 4l6i by Molmil
Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine
Descriptor: ADENINE, S-methyl-5'-thioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2013-06-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 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
4L5Y
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BU of 4l5y by Molmil
Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
Descriptor: PHOSPHATE ION, S-methyl-5'-thioadenosine phosphorylase
Authors:Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2013-06-11
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.0957 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
4KVA
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BU of 4kva by Molmil
GTPase domain of Septin 10 from Schistosoma mansoni in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Septin
Authors:Zeraik, A.E, Pereira, H.M, Santos, Y.V, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U, Demarco, R.
Deposit date:2013-05-22
Release date:2014-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
J.Biol.Chem., 289, 2014
5L16
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BU of 5l16 by Molmil
Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major
Descriptor: Putative selenophosphate synthetase, SULFATE ION
Authors:Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
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
4KV9
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BU of 4kv9 by Molmil
GTPase domain of Septin 10 from Schistosoma mansoni in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Septin
Authors:Zeraik, A.E, Pereira, H.M, Santos, Y.V, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U, Demarco, R.
Deposit date:2013-05-22
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
J.Biol.Chem., 289, 2014
5EYV
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BU of 5eyv by Molmil
Crystal Structure of Adenylosuccinate lyase from Schistosoma mansoni in APO form.
Descriptor: Adenylosuccinate lyase
Authors:Romanello, L, Torini, J.R, Bird, L.E, Nettleship, J.E, Owens, R.J, Reddivari, Y, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-11-25
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
5EYT
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BU of 5eyt by Molmil
Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase
Authors:Romanello, L, Torini, J.R, Bird, L, Nettleship, J, Owens, R, Reddivari, Y, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-11-25
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3649 Å)
Cite:Structural and kinetic analysis of Schistosoma mansoni Adenylosuccinate Lyase (SmADSL).
Mol. Biochem. Parasitol., 214, 2017
5CXS
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BU of 5cxs by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Purine nucleoside phosphorylase
Authors:Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-07-29
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
5CXQ
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BU of 5cxq by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in APO form
Descriptor: Purine nucleoside phosphorylase
Authors:Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2015-07-29
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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
5F73
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BU of 5f73 by Molmil
Crystal structure of Mutant S12T of Adenosine/Methylthioadenosine Phosphorylase in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 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
5F77
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BU of 5f77 by Molmil
Crystal structure of Mutant S12T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 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

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