4ICC
 
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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4IGS
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-18 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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2VKA
 | | Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus eryngii Versatile Peroxidase | | Descriptor: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ruiz-Duenas, F.J, Morales, M, Mate, M.J, Romero, A, Martinez, M.J, Smith, A, Martinez, A.T. | | Deposit date: | 2007-12-18 | | Release date: | 2008-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Site-Directed Mutagenesis of the Catalytic Tryptophan Environment in Pleurotus Eryngii Versatile Peroxidase
Biochemistry, 47, 2008
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2W23
 | | Structure of mutant W169Y of Pleurotus eryngii versatile peroxidase (VP) | | Descriptor: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ruiz-Duenas, F.J, Pogni, R, Morales, M, Giansanti, S, Mate, M.J, Romero, A, Martinez, M.J, Basosi, R, Martinez, A.T. | | Deposit date: | 2008-10-23 | | Release date: | 2009-01-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Protein Radicals in Fungal Versatile Peroxidase: Catalytic Tryptophan Radical in Both Compound I and Compound II and Studies on W164Y, W164H, and W164S Variants.
J.Biol.Chem., 284, 2009
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7AEM
 | | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Hargreaves, D. | | Deposit date: | 2020-09-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
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7AEI
 | | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | | Descriptor: | 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Hargreaves, D. | | Deposit date: | 2020-09-17 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
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4XZH
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZL
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZI
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZN
 | | Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZM
 | | Crystal structure of the methylated wild-type AKR1B10 holoenzyme | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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3PKY
 | | Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA, UTP and Manganese. | | Descriptor: | DNA 5'-D(*G*CP*CP*GP*CP*AP*AP*CP*GP*CP*AP*CP*G)-3', DNA 5'-D(P*GP*CP*GP*GP*C)-3', MANGANESE (II) ION, ... | | Authors: | Brissett, N.C, Fox, G.C, Pitcher, R.S, Doherty, A.J. | | Deposit date: | 2010-11-12 | | Release date: | 2011-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a Preternary Complex Involving a Prokaryotic NHEJ DNA Polymerase.
Mol.Cell, 41, 2011
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2PGH
 | | STRUCTURE DETERMINATION OF AQUOMET PORCINE HEMOGLOBIN AT 2.8 ANGSTROM RESOLUTION | | Descriptor: | HEMOGLOBIN (AQUO MET) (ALPHA CHAIN), HEMOGLOBIN (AQUO MET) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Katz, D.S, White, S.P, Huang, W, Kumar, R, Christianson, D.W. | | Deposit date: | 1994-09-16 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure determination of aquomet porcine hemoglobin at 2.8 A resolution.
J.Mol.Biol., 244, 1994
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4MKY
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1GZ7
 | | Crystal structure of the closed state of lipase 2 from Candida rugosa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LIPASE 2 | | Authors: | Mancheno, J.M, Hermoso, J.A. | | Deposit date: | 2002-05-17 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Insights Into the Lipase/Esterase Behavior in the Candida Rugosa Lipases Family: Crystal Structure of the Lipase 2 Isoenzyme at 1.97A Resolution
J.Mol.Biol., 332, 2003
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4FDQ
 | | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | | Descriptor: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | | Deposit date: | 2012-05-29 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
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4FEF
 | | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | | Descriptor: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | | Deposit date: | 2012-05-30 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
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4G05
 | | The crystal structures of several mutants of Pleurotus eryngii versatile peroxidase | | Descriptor: | CALCIUM ION, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | | Deposit date: | 2012-07-09 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
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4FCS
 | | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | | Descriptor: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
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4FCN
 | | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE.
J.Biol.Chem., 287, 2012
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4UPD
 | | Open conformation of O. piceae sterol esterase mutant I544W | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, STEROL ESTERASE, TRIETHYLENE GLYCOL, ... | | Authors: | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | | Deposit date: | 2014-06-16 | | Release date: | 2014-09-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
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2BOQ
 | | Crystal structure of versatile peroxidase | | Descriptor: | CACODYLATE ION, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Choinowski, T, Piontek, K, Martinez, A.T, Perez-Boada, M. | | Deposit date: | 2005-04-13 | | Release date: | 2005-11-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Versatile Peroxidase Oxidation of High Redox Potential Aromatic Compounds: Site-Directed Mutagenesis, Spectroscopic and Crystallographic Investigation of Three Long-Range Electron Transfer Pathways.
J.Mol.Biol., 354, 2005
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3FM6
 | | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | | Descriptor: | CALCIUM ION, FE (III) ION, GLYCEROL, ... | | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | | Deposit date: | 2008-12-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates
To be Published
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3FMU
 | | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | | Descriptor: | CACODYLATE ION, CALCIUM ION, FE (III) ION, ... | | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | | Deposit date: | 2008-12-22 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates
To be Published
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3FM1
 | | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | | Descriptor: | CALCIUM ION, FE (III) ION, MANGANESE (II) ION, ... | | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | | Deposit date: | 2008-12-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates
To be Published
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