5K27
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![BU of 5k27 by Molmil](/molmil-images/mine/5k27) | 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
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5IRR
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![BU of 5irr by Molmil](/molmil-images/mine/5irr) | 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
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | 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
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6WCU
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![BU of 6wcu by Molmil](/molmil-images/mine/6wcu) | 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
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6WSM
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![BU of 6wsm by Molmil](/molmil-images/mine/6wsm) | 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
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6ZH0
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![BU of 6zh0 by Molmil](/molmil-images/mine/6zh0) | 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
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4TX8
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![BU of 4tx8 by Molmil](/molmil-images/mine/4tx8) | 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
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6Y84
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![BU of 6y84 by Molmil](/molmil-images/mine/6y84) | 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
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6MQ9
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![BU of 6mq9 by Molmil](/molmil-images/mine/6mq9) | 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
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6N0B
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![BU of 6n0b by Molmil](/molmil-images/mine/6n0b) | 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
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1T0O
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![BU of 1t0o by Molmil](/molmil-images/mine/1t0o) | The structure of alpha-galactosidase from Trichoderma reesei complexed with beta-D-galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Golubev, A.M, Nagem, R.A.P, Brandao Neto, J.R, Neustroev, K.N, Eneyskaya, E.V, Kulminskaya, A.A, Shabalin, K.A, Savel'ev, A.N, Polikarpov, I. | Deposit date: | 2004-04-12 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of alpha-galactosidase from Trichoderma reesei and its complex with galactose: implications for catalytic mechanism J.Mol.Biol., 339, 2004
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6MQK
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![BU of 6mqk by Molmil](/molmil-images/mine/6mqk) | Crystal Structure of GTPase Domain of Human Septin 12 in complex with GDP | 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 (2.19 Å) | Cite: | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface. Iucrj, 7, 2020
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6N12
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![BU of 6n12 by Molmil](/molmil-images/mine/6n12) | 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
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6NDN
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![BU of 6ndn by Molmil](/molmil-images/mine/6ndn) | |
6MQB
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![BU of 6mqb by Molmil](/molmil-images/mine/6mqb) | 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
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5L16
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![BU of 5l16 by Molmil](/molmil-images/mine/5l16) | 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
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6UQQ
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![BU of 6uqq by Molmil](/molmil-images/mine/6uqq) | 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
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6WBE
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![BU of 6wbe by Molmil](/molmil-images/mine/6wbe) | 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
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6WBP
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![BU of 6wbp by Molmil](/molmil-images/mine/6wbp) | 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
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6UPR
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![BU of 6upr by Molmil](/molmil-images/mine/6upr) | 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
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6UPQ
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![BU of 6upq by Molmil](/molmil-images/mine/6upq) | 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
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6UPA
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![BU of 6upa by Molmil](/molmil-images/mine/6upa) | 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
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6WB3
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![BU of 6wb3 by Molmil](/molmil-images/mine/6wb3) | 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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6MQL
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![BU of 6mql by Molmil](/molmil-images/mine/6mql) | 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
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7N83
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![BU of 7n83 by Molmil](/molmil-images/mine/7n83) | 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
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