6O9E
 
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | | Descriptor: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | | Deposit date: | 2019-03-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
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4W64
 | | 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
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4WVV
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8RTH
 | | Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase | | Descriptor: | 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ... | | Authors: | Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C. | | Deposit date: | 2024-01-26 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | The cryo-EM structure of trypanosome 3-methylcrotonyl-CoA carboxylase provides mechanistic and dynamic insights into its enzymatic function.
Structure, 2024
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6BHJ
 | | Structure of HIV-1 Reverse Transcriptase Bound to a 38-mer Hairpin Template-Primer RNA-DNA Aptamer | | Descriptor: | 38-MER RNA-DNA Aptamer, GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | | Authors: | Ruiz, F.X, Miller, M.T, Tuske, S, Das, K, Arnold, E. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Integrative Structural Biology Studies of HIV-1 Reverse Transcriptase Binding to a High-Affinity DNA Aptamer
Curr Res Struct Biol, 2020
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7P8H
 | | chicken GRIFIN bound to blood group tetrasaccharide B (type 1) | | Descriptor: | Galectin, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2021-07-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin.
Biomolecules, 11, 2021
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4WVW
 | | Chicken Galectin-8 N-terminal domain complexed with 3'-sialyl-lactose | | Descriptor: | DI(HYDROXYETHYL)ETHER, Galectin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2014-11-07 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Combining Crystallography and Hydrogen-Deuterium Exchange to Study Galectin-Ligand Complexes.
Chemistry, 21, 2015
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6TUX
 | | human XPG-DNA, Complex 2 | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*AP*GP*TP*T)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells | | Authors: | Ruiz, F.M, Fernandez-Tornero, C. | | Deposit date: | 2020-01-08 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
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5NM1
 | | Chicken GRIFIN (crystallisation pH: 6.2) | | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2017-04-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
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6UL5
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Pilch, A, Arnold, E. | | Deposit date: | 2019-10-06 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
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6TUW
 | | human XPG-DNA, Complex 1 | | Descriptor: | DNA (5'-D(P*GP*AP*AP*CP*TP*CP*TP*G)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*AP*GP*TP*TP*C)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells | | Authors: | Ruiz, F.M, Fernandez-Tornero, C. | | Deposit date: | 2020-01-08 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
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6Y4R
 | | Cytoplasmic domain of TssL from Acinetobacter baumannii | | Descriptor: | DotU family type IV/VI secretion system protein | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2020-02-22 | | Release date: | 2020-07-01 | | Last modified: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Structural Characterization of TssL from Acinetobacter baumannii: a Key Component of the Type VI Secretion System.
J.Bacteriol., 202, 2020
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5JP5
 | | Crystal structure of rat Galectin 5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Galectin-5 | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2016-05-03 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin.
Biomolecules, 11, 2021
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6TUS
 | | human XPG, Apo2 form | | Descriptor: | DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells, GLYCEROL, SULFATE ION | | Authors: | Ruiz, F.M, Fernandez-Tornero, C. | | Deposit date: | 2020-01-08 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Arnold, E. | | Deposit date: | 2020-12-02 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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5NLE
 | | Chicken GRIFIN (crystallisation pH: 8.0) | | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2017-04-04 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
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5M2F
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008 | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ... | | Authors: | Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A. | | Deposit date: | 2016-10-12 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017
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5NLD
 | | Chicken GRIFIN (crystallisation pH: 7.5) | | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2017-04-04 | | Release date: | 2018-02-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
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5NLH
 | | Chicken GRIFIN (crystallisation pH: 8.5) | | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2017-04-04 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
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5NLZ
 | | GRIFIN (Crystallisation pH: 4.2) | | Descriptor: | Galectin | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2017-04-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
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5NM6
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5NMJ
 | | Chicken GRIFIN (crystallisation pH: 6.5) | | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2017-04-06 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
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2PZN
 | | The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant | | Descriptor: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Ruiz, F, Hazemann, I, Darmanin, C, Mitschler, A, Van Zandt, M, Joachimiak, A, El-Kabbani, O, Podjarny, A. | | Deposit date: | 2007-05-18 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant
To be Published
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1T41
 | | Crystal structure of human aldose reductase complexed with NADP and IDD552 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | | Authors: | Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A. | | Deposit date: | 2004-04-28 | | Release date: | 2004-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
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1T40
 | | Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | | Authors: | Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A. | | Deposit date: | 2004-04-28 | | Release date: | 2004-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
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