8SJ5
 
 | | Walnut Tree Phytocystatin | | Descriptor: | Cysteine proteinase inhibitor | | Authors: | Valadares, N.F. | | Deposit date: | 2023-04-17 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure and interconversion of monomers and domain-swapped dimers of the walnut tree phytocystatin.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
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3UL6
 | | Saccharum officinarum canecystatin-1 in space group P6422 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Canecystatin-1 | | Authors: | Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C. | | Deposit date: | 2011-11-10 | | Release date: | 2012-12-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
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2G1Z
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6VLP
 | | Hop phytocystatin in space group C2221 | | Descriptor: | Hop1, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Valadares, N.F, Moura, G.T. | | Deposit date: | 2020-01-24 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.681 Å) | | Cite: | Crystal structure and physicochemical characterization of a phytocystatin from Humulus lupulus: Insights into its domain-swapped dimer
Biochim Biophys Acta Proteins Proteom, 1869, 2020
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1XCS
 | | structure of oligonucleotide/drug complex | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*G)-3', 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM, BARIUM ION, ... | | Authors: | Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A. | | Deposit date: | 2004-09-03 | | Release date: | 2005-07-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Variable role of ions in two drug intercalation complexes of DNA
J.Biol.Inorg.Chem., 10, 2005
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1XCU
 | | oligonucleotid/drug complex | | Descriptor: | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE, 5'-D(*CP*GP*TP*AP*CP*G)-3', BARIUM ION, ... | | Authors: | Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A. | | Deposit date: | 2004-09-03 | | Release date: | 2005-07-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variable role of ions in two drug intercalation complexes of DNA
J.Biol.Inorg.Chem., 10, 2005
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3UL5
 | | Saccharum officinarum canecystatin-1 in space group C2221 | | Descriptor: | Canecystatin-1, GLYCEROL, SODIUM ION | | Authors: | Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C. | | Deposit date: | 2011-11-10 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
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4Z54
 | | 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
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4Z51
 | | 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
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1S23
 | | Crystal Structure Analysis of the B-DNA Decamer CGCAATTGCG | | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3', COBALT (II) ION | | Authors: | Valls, N, Wright, G, Steiner, R.A, Murshudov, G.N, Subirana, J.A. | | Deposit date: | 2004-01-08 | | Release date: | 2004-04-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | DNA variability in five crystal structures of d(CGCAATTGCG).
Acta Crystallogr.,Sect.D, 60, 2004
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1S9B
 | | Crystal Structure Analysis of the B-DNA GAATTCG | | Descriptor: | 5'-D(*GP*AP*AP*TP*TP*CP*G)-3', NICKEL (II) ION | | Authors: | Valls, N, Uson, I, Gouyette, C, Subirana, J.A. | | Deposit date: | 2004-02-04 | | Release date: | 2004-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A cubic arrangement of DNA double helices based on nickel-guanine interactions
J.Am.Chem.Soc., 126, 2004
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2A2T
 | | crystal structure of d(AAATATTT) | | Descriptor: | 5'-D(*AP*AP*AP*TP*AP*TP*TP*T)-3', CACODYLATE ION, MANGANESE (II) ION | | Authors: | Valls, N, Richter, M, Subirana, J.A. | | Deposit date: | 2005-06-23 | | Release date: | 2005-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a DNA duplex with all-AT base pairs.
Acta Crystallogr.,Sect.D, 61, 2005
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5SV2
 | | Toxin VapC21 from Mycobacterium tuberculosis | | Descriptor: | Ribonuclease VapC21 | | Authors: | Valadares, N.F. | | Deposit date: | 2016-08-04 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Crystal structure of VapC21 from Mycobacterium tuberculosis at 1.31 angstrom resolution.
Biochem.Biophys.Res.Commun., 478, 2016
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5KEL
 | | EBOV GP in complex with variable Fab domains of IgGs c2G4 and c13C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ebola surface glycoprotein, ... | | Authors: | Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
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5KEN
 | | EBOV GP in complex with variable Fab domains of IgGs c4G7 and c13C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ebola surface glycoprotein, ... | | Authors: | Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
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8ILR
 | | Cryo-EM structure of PI3Kalpha in complex with compound 16 | | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILV
 | | Cryo-EM structure of PI3Kalpha in complex with compound 18 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILS
 | | Cryo-EM structure of PI3Kalpha in complex with compound 17 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
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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
 | | 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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6N7V
 | | Structure of bacteriophage T7 gp4 (helicase-primase, E343Q mutant) in complex with ssDNA, dTTP, AC dinucleotide, and CTP (from multiple lead complexes) | | Descriptor: | DNA (93-MER), DNA primase/helicase, MAGNESIUM ION, ... | | Authors: | Gao, Y, Fox, T, Val, N, Yang, W. | | Deposit date: | 2018-11-28 | | Release date: | 2019-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structures and operating principles of the replisome.
Science, 363, 2019
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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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6OHY
 | | Chimpanzee SIV Env trimeric ectodomain. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pallesen, J, Andrabi, R, de Val, N, Burton, D.R, Ward, A.B. | | Deposit date: | 2019-04-08 | | Release date: | 2019-06-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | The Chimpanzee SIV Envelope Trimer: Structure and Deployment as an HIV Vaccine Template.
Cell Rep, 27, 2019
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7ZJ4
 | | Ligand bound state of a brocolli-pepper aptamer FRET tile | | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ... | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
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7ZJ5
 | | Unbound state of a brocolli-pepper aptamer FRET tile. | | Descriptor: | POTASSIUM ION, brocolli-pepper aptamer | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
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