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1PNB
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BU of 1pnb by Molmil
STRUCTURE OF NAPIN BNIB, NMR, 10 STRUCTURES
Descriptor: NAPIN BNIB
Authors:Rico, M, Bruix, M, Gonzalez, C, Monsalve, R, Rodriguez, R.
Deposit date:1996-09-17
Release date:1997-09-17
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:1H NMR assignment and global fold of napin BnIb, a representative 2S albumin seed protein.
Biochemistry, 35, 1996
6GIZ
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BU of 6giz by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJ2
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BU of 6gj2 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - COMPLEX WITH INOSITOL HEXASULPHATE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJ9
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BU of 6gj9 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - REGENERATION COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-16
Release date:2019-11-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of a cereal purple acid phytase provides insights to phytate degradation in plants
To Be Published
6GIT
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BU of 6git by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - PRODUCT COMPLEX
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-15
Release date:2019-11-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJA
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BU of 6gja by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-05-16
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
2JON
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BU of 2jon by Molmil
Solution structure of the C-terminal domain Ole e 9
Descriptor: Beta-1,3-glucanase
Authors:Trevino, M.A, Palomares, O, Castrillo, I, Villalba, M, Rodriguez, R, Rico, M, Santoro, J, Bruix, M.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
1SS3
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BU of 1ss3 by Molmil
Solution structure of Ole e 6, an allergen from olive tree pollen
Descriptor: Pollen allergen Ole e 6
Authors:Trevino, M.A, Garcia-Mayoral, M.F, Barral, P, Villalba, M, Santoro, J, Rico, M, Rodriguez, R, Bruix, M.
Deposit date:2004-03-23
Release date:2004-08-03
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of Ole e 6, a Major Allergen from Olive Tree Pollen.
J.Biol.Chem., 279, 2004
1SM7
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BU of 1sm7 by Molmil
Solution structure of the recombinant pronapin precursor, BnIb.
Descriptor: recombinant Ib pronapin
Authors:Pantoja-Uceda, D, Palomares, O, Bruix, M, Villalba, M, Rodriguez, R, Rico, M, Santoro, J.
Deposit date:2004-03-08
Release date:2005-02-01
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution structure and stability against digestion of rproBnIb, a recombinant 2S albumin from rapeseed: relationship to its allergenic properties.
Biochemistry, 43, 2004
6FK2
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BU of 6fk2 by Molmil
Galectin-3 carbohydrate recognition domain in complex with lactitol
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-sorbitol
Authors:Doran, S.M.C, Faba Rodriguez, R, Hemmings, A.M.
Deposit date:2018-01-23
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Ligand specificity at the D-site of human Galectin-3 Carbohydrate Recognition Domain
To be published
2MUA
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BU of 2mua by Molmil
Shifting the Polarity of some Critical Residues in Malarial Peptides Binding to Host Cells is a Key Factor in Breaking Conserved Antigens
Descriptor: Ring-infected erythrocyte surface antigen
Authors:Cifuentes, G, Bermudez, A, Rodriguez, R, Patarroyo, M.
Deposit date:2014-09-05
Release date:2015-09-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Shifting the polarity of some critical residues in malarial peptides' binding to host cells is a key factor in breaking conserved antigens' code of silence.
MEDICINAL CHEMISTRY, 4, 2008
2MUE
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BU of 2mue by Molmil
Structure Immunogenicity and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues
Descriptor: Merozoite surface protein 1
Authors:Espejo, F, Cubillos, M, Salazar, L, Guzman, F, Urquiza, M, Ocampo, M, Silva, Y, Rodriguez, R, Lioy, E, Patarroyo, M.
Deposit date:2014-09-08
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, Immunogenicity, and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues.
Angew.Chem.Int.Ed.Engl., 40, 2001
2MU8
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BU of 2mu8 by Molmil
Residues belonging the n-terminal region derived of merozoite surface protein-2 of plasmodium falciparum
Descriptor: MSP-2 peptide
Authors:Cifuentes, G, Patarroyo, M.E, Urquiza, M, Ramirez, L.E, Reyes, C, Rodriguez, R.
Deposit date:2014-09-04
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Distorting malaria peptide backbone structure to enable fitting into MHC class II molecules renders modified peptides immunogenic and protective.
J.Med.Chem., 46, 2003
2MU7
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BU of 2mu7 by Molmil
Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria
Descriptor: 1513 MSP-1 peptide
Authors:Espejo, F, Bermudez, A, Torres, E, Urquiza, M, Rodriguez, R, Lopez, Y, Patarroyo, M.
Deposit date:2014-09-04
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria.
Biochem.Biophys.Res.Commun., 315, 2004
6ZUC
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BU of 6zuc by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig1-HAB1 TERNARY COMPLEX
Descriptor: 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, CHLORIDE ION, CSPYL1, ...
Authors:Albert, A, Infantes, L, Benavente, J.L.
Deposit date:2020-07-22
Release date:2021-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8OXE
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BU of 8oxe by Molmil
Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MAGNESIUM ION
Authors:Faba-Rodriguez, R, Li, A.W.H, Brearley, C.A, Hemmings, A.M.
Deposit date:2023-05-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure and Enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 ( St ITPK1).
Biochemistry, 63, 2024
8AY3
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BU of 8ay3 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-iSB9-HAB1 TERNARY COMPLEX
Descriptor: CHLORIDE ION, CsPYL1, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-01
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY8
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BU of 8ay8 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB9-HAB1 TERNARY COMPLEX
Descriptor: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AYA
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BU of 8aya by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-A10-HAB1 TERNARY COMPLEX
Descriptor: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.742 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY6
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BU of 8ay6 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-HAB1 TERNARY COMPLEX
Descriptor: 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, Abscisic acid receptor PYL1, CHLORIDE ION, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY9
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BU of 8ay9 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL1, CHLORIDE ION, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
8AY7
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BU of 8ay7 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB7-HAB1 TERNARY COMPLEX
Descriptor: Abscisic acid receptor PYL1, CHLORIDE ION, GLYCEROL, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-09-02
Release date:2023-03-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
6BFX
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BU of 6bfx by Molmil
BACE crystal structure with hydroxy pyrrolidine inhibitor
Descriptor: Beta-secretase 1, GLYCEROL, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide
Authors:Timm, D.E.
Deposit date:2017-10-27
Release date:2017-11-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
6BFE
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BU of 6bfe by Molmil
BACE crystal structure with hydroxy pyrrolidine inhibitor
Descriptor: Beta-secretase 1, GLYCEROL, N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
Authors:Timm, D.E.
Deposit date:2017-10-26
Release date:2017-11-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
6BFD
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BU of 6bfd by Molmil
BACE crystal structure with hydroxy pyrrolidine inhibitor
Descriptor: 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL
Authors:Timm, D.E.
Deposit date:2017-10-26
Release date:2017-11-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017

 

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