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3DUI
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BU of 3dui by Molmil
Crystal structure of the oxidized CG-1B: an adhesion/growth-regulatory lectin from chicken
Descriptor: BETA-MERCAPTOETHANOL, Beta-galactoside-binding lectin
Authors:Romero, A, Lopez-Lucendo, M.I.F, Solis, D, Gabius, H.-J.
Deposit date:2008-07-17
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Homodimeric chicken galectin CG-1B (C-14): Crystal structure and detection of unique redox-dependent shape changes involving inter- and intrasubunit disulfide bridges by gel filtration, ultracentrifugation, site-directed mutagenesis, and peptide mass fingerprinting
J.Mol.Biol., 386, 2009
6Z2I
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BU of 6z2i by Molmil
Crystal structure of DeNovoTIM6, a de novo designed TIM barrel
Descriptor: de novo designed TIM barrel DeNovoTIM6
Authors:Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A, Hocker, B.
Deposit date:2020-05-15
Release date:2021-07-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
4UWW
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BU of 4uww by Molmil
Crystallographic Structure of the Intramineral Protein Struthicalcin from Struthio camelus Eggshell
Descriptor: STRUTHIOCALCIN-1
Authors:Ruiz, R.R, Moreno, A, Romero, A.
Deposit date:2014-08-14
Release date:2015-04-08
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
4W7O
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BU of 4w7o by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. G169L, Y147S AND W377S TRIPLE MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7L
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BU of 4w7l by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. D168N MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7N
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BU of 4w7n by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S AND W377S DOUBLE MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
2OMA
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BU of 2oma by Molmil
Crystallographic analysis of a chemically modified triosephosphate isomerase from Trypanosoma cruzi with dithiobenzylamine (DTBA)
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Rodriguez-Romero, A, Gomez-Puyou, A.
Deposit date:2007-01-21
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Perturbation of the Dimer Interface of Triosephosphate Isomerase and its Effect on Trypanosoma cruzi.
PLoS Negl Trop Dis, 1, 2007
4W64
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BU of 4w64 by Molmil
Hcp1 protein from Acinetobacter baumannii AB0057
Descriptor: SULFATE ION, Type VI secretion system effector, Hcp1 family
Authors:Ruiz, F.M, Romero, A.
Deposit date:2014-08-20
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Hcp from Acinetobacter baumannii: A Component of the Type VI Secretion System.
Plos One, 10, 2015
8EYM
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BU of 8eym by Molmil
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM SHEWANELLA DENITRIFICANS OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AND N-ACETYLGLUCOSAMINE-6-PHOSPHATE AT 2.31 A RESOLUTION
Descriptor: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rodriguez-Hernandez, A, Marcos-Viquez, J, Rodriguez-Romero, A, Bustos-Jaimes, I.
Deposit date:2022-10-27
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
8FDB
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BU of 8fdb by Molmil
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanella denitrificans OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AT 3.06 A RESOLUTION.
Descriptor: 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE, GLYCEROL, Glutamine-fructose-6-phosphate transaminase (Isomerizing), ...
Authors:Rodriguez-Romero, A, Rodriguez-Hernandez, A, Marcos-Viquez, J, Bustos-Jaimes, I.
Deposit date:2022-12-02
Release date:2023-05-17
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
8EOL
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BU of 8eol by Molmil
CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM SHEWANELLA DENITRIFICANS OS217 AT 2.17 A RESOLUTION
Descriptor: GLUCOSAMINE-6-PHOSPHATE DEAMINASE
Authors:Rodriguez-Hernandez, A, Marcos-Viquez, J, Rodriguez-Romero, A, Bustos-Jaimes, I.
Deposit date:2022-10-03
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases.
Protein Sci., 32, 2023
4UHV
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BU of 4uhv by Molmil
The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System
Descriptor: CHLORIDE ION, SODIUM ION, VGRG1, ...
Authors:Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A.
Deposit date:2015-03-25
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System
Acta Crystallogr.,Sect.D, 72, 2016
4V3F
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BU of 4v3f by Molmil
Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with betaine aldehyde
Descriptor: 2-ETHOXYETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, CHLOROPLASTIC, ...
Authors:Zarate-Romero, A, Munoz-Clares, R.A.
Deposit date:2014-10-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Reversible, Partial Inactivation of Plant Betaine Aldehyde Dehydrogenase by Betaine Aldehyde: Mechanism and Possible Physiological Implications.
Biochem.J., 473, 2016
1CI1
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BU of 1ci1 by Molmil
CRYSTAL STRUCTURE OF TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI IN HEXANE
Descriptor: HEXANE, PROTEIN (TRIOSEPHOSPHATE ISOMERASE)
Authors:Gao, X.-G, Maldondo, E, Perez-Montfort, R, De Gomez-Puyou, M.T, Gomez-Puyou, A, Rodriguez-Romero, A.
Deposit date:1999-04-06
Release date:1999-09-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of triosephosphate isomerase from Trypanosoma cruzi in hexane.
Proc.Natl.Acad.Sci.USA, 96, 1999
7ZCL
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BU of 7zcl by Molmil
Unspecific peroxygenase from Collariella virescens
Descriptor: Collariella virescens UPO, HEME C, MAGNESIUM ION
Authors:Santillana, E, Romero, A.
Deposit date:2022-03-28
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Antioxidants, 11, 2022
7ZBP
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BU of 7zbp by Molmil
Unspecific peroxygenase from Marasmius rotula
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Santillana, E, Romero, A.
Deposit date:2022-03-24
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Antioxidants, 11, 2022
6XKS
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BU of 6xks by Molmil
Crystal structure of domain A from the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) of Salmonella typhimurium
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Histidine ABC transporter substrate-binding protein HisJ
Authors:Romero-Romero, S, Berrocal, T, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
Deposit date:2020-06-27
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thermodynamic and kinetic analysis of the LAO binding protein and its isolated domains reveal non-additivity in stability, folding and function.
Febs J., 2023
2JC7
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BU of 2jc7 by Molmil
The crystal structure of the carbapenemase OXA-24 reveals new insights into the mechanism of carbapenem-hydrolysis
Descriptor: BETA-LACTAMASE OXA-24, SULFATE ION
Authors:Santillana, E, Romero, A.
Deposit date:2006-12-20
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Carbapenemase Oxa-24 Reveals Insights Into the Mechanism of Carbapenem Hydrolysis.
Proc.Natl.Acad.Sci.USA, 104, 2007
8BGA
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BU of 8bga by Molmil
Structure of Mpro in complex with FGA146
Descriptor: 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Medrano, F.J, Romero, A.
Deposit date:2022-10-27
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.
Commun Chem, 7, 2024
3PF3
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BU of 3pf3 by Molmil
Crystal structure of a mutant (C202A) of Triosephosphate isomerase from Giardia lamblia derivatized with MMTS
Descriptor: CALCIUM ION, GLYCEROL, SULFATE ION, ...
Authors:Enriquez-Flores, S, Rodriguez-Romero, A, Hernandez-Santoyo, A, Reyes-Vivas, H.
Deposit date:2010-10-27
Release date:2011-06-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Determining the molecular mechanism of inactivation by chemical modification of triosephosphate isomerase from the human parasite Giardia lamblia: A study for antiparasitic drug design.
Proteins, 79, 2011
4HPG
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BU of 4hpg by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), an allergen from Hevea brasiliensis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, DI(HYDROXYETHYL)ETHER, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-10-23
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5364 Å)
Cite:Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
4IIS
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BU of 4iis by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), An allergen from Hevea Brasiliensis (Space group P41)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase form 'RRII Gln 2', CACODYLATE ION, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-12-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6676 Å)
Cite:Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
4Y9A
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BU of 4y9a by Molmil
Crystal structure of Triosephosphate Isomerase from Streptomyces coelicolor
Descriptor: Triosephosphate isomerase
Authors:Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A.
Deposit date:2015-02-17
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
4Y8F
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BU of 4y8f by Molmil
Crystal structure of Triosephosphate Isomerase from Clostridium perfringens
Descriptor: ACETATE ION, SODIUM ION, Triosephosphate Isomerase
Authors:Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A.
Deposit date:2015-02-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
4Y96
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BU of 4y96 by Molmil
Crystal structure of Triosephosphate Isomerase from Gemmata obscuriglobus
Descriptor: CALCIUM ION, PHOSPHATE ION, SODIUM ION, ...
Authors:Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A.
Deposit date:2015-02-17
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015

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