1EKO
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![BU of 1eko by Molmil](/molmil-images/mine/1eko) | PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE | Authors: | Podjarny, A. | Deposit date: | 2000-03-09 | Release date: | 2000-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of human aldose reductase bound to the inhibitor IDD384. Acta Crystallogr.,Sect.D, 56, 2000
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5NR8
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![BU of 5nr8 by Molmil](/molmil-images/mine/5nr8) | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Podjarny, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-02-21 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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1EL3
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![BU of 1el3 by Molmil](/molmil-images/mine/1el3) | HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE | Authors: | Podjarny, A. | Deposit date: | 2000-03-13 | Release date: | 2000-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of human aldose reductase bound to the inhibitor IDD384. Acta Crystallogr.,Sect.D, 56, 2000
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5HR2
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![BU of 5hr2 by Molmil](/molmil-images/mine/5hr2) | Crystal structure of thioredoxin L94A mutant | Descriptor: | COPPER (II) ION, Thioredoxin | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2016-01-22 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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4WK9
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![BU of 4wk9 by Molmil](/molmil-images/mine/4wk9) | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-02 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.102 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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4WJX
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![BU of 4wjx by Molmil](/molmil-images/mine/4wjx) | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-01 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM Acta Crystallogr.,Sect.D, 71, 2015
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8GEW
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![BU of 8gew by Molmil](/molmil-images/mine/8gew) | H-FABP crystal soaked in a bromo palmitic acid solution | Descriptor: | 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ... | Authors: | Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M. | Deposit date: | 2023-03-07 | Release date: | 2023-08-30 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation. Proteins, 91, 2023
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6B9O
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![BU of 6b9o by Molmil](/molmil-images/mine/6b9o) | Structure of GH 38 Jack Bean alpha-mannosidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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6B9P
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![BU of 6b9p by Molmil](/molmil-images/mine/6b9p) | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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1PWL
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![BU of 1pwl by Molmil](/molmil-images/mine/1pwl) | Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat | Descriptor: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | Authors: | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | Deposit date: | 2003-07-02 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors PROTEINS, 55, 2004
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1PWM
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![BU of 1pwm by Molmil](/molmil-images/mine/1pwm) | Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A. | Deposit date: | 2003-07-02 | Release date: | 2004-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors PROTEINS, 55, 2004
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7LYZ
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![BU of 7lyz by Molmil](/molmil-images/mine/7lyz) | PROTEIN MODEL BUILDING BY THE USE OF A CONSTRAINED-RESTRAINED LEAST-SQUARES PROCEDURE | Descriptor: | HEN EGG WHITE LYSOZYME | Authors: | Moult, J, Yonath, A, Sussman, J, Herzberg, O, Podjarny, A, Traub, W. | Deposit date: | 1977-05-06 | Release date: | 1977-06-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Model Building by the Use of a Constrained-Restrained Least-Squares Procedure J.Appl.Crystallogr., 16, 1983
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4GAB
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![BU of 4gab by Molmil](/molmil-images/mine/4gab) | Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ... | Authors: | Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A. | Deposit date: | 2012-07-25 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5971 Å) | Cite: | X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity. Chem.Biol.Interact, 202, 2013
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1AH4
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![BU of 1ah4 by Molmil](/molmil-images/mine/1ah4) | PIG ALDOSE REDUCTASE, HOLO FORM | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Moras, D, Podjarny, A. | Deposit date: | 1997-04-12 | Release date: | 1998-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A 'specificity' pocket inferred from the crystal structures of the complexes of aldose reductase with the pharmaceutically important inhibitors tolrestat and sorbinil. Structure, 5, 1997
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2I16
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![BU of 2i16 by Molmil](/molmil-images/mine/2i16) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | Deposit date: | 2006-08-13 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat. Acta Crystallogr.,Sect.D, 62, 2006
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2I17
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![BU of 2i17 by Molmil](/molmil-images/mine/2i17) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | Deposit date: | 2006-08-13 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat. Acta Crystallogr.,Sect.D, 62, 2006
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6SJV
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![BU of 6sjv by Molmil](/molmil-images/mine/6sjv) | Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif | Descriptor: | Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-14 | Release date: | 2019-09-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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6SJA
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![BU of 6sja by Molmil](/molmil-images/mine/6sja) | Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-13 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering de molecular and structural interaction between IRF3 and HPV16 E6 To be published
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2J8T
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![BU of 2j8t by Molmil](/molmil-images/mine/2j8t) | Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | Descriptor: | ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ... | Authors: | Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R. | Deposit date: | 2006-10-27 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.82 Å) | Cite: | The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop. Acta Crystallogr.,Sect.D, 63, 2007
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6SMV
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![BU of 6smv by Molmil](/molmil-images/mine/6smv) | Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif | Descriptor: | DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-22 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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6SIV
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![BU of 6siv by Molmil](/molmil-images/mine/6siv) | Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-12 | Release date: | 2019-08-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Deciphering the molecular and structural interaction between IRF3 and HPV16 E6 To be published
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5EUC
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![BU of 5euc by Molmil](/molmil-images/mine/5euc) | The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase | Authors: | Valsecchi, W.M, Cousido-Siah, A, Mitschler, A, Podjarny, A, Delfino, J.M, Santos, J. | Deposit date: | 2015-11-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase. Biochim.Biophys.Acta, 1864, 2016
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5HR3
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![BU of 5hr3 by Molmil](/molmil-images/mine/5hr3) | Crystal structure of thioredoxin N106A mutant | Descriptor: | COPPER (II) ION, ETHANOL, SULFATE ION, ... | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2016-01-22 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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5HBF
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![BU of 5hbf by Molmil](/molmil-images/mine/5hbf) | Crystal structure of human full-length chitotriosidase (CHIT1) | Descriptor: | Chitotriosidase-1, GLYCEROL | Authors: | Fadel, F, Zhao, Y, Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | Deposit date: | 2015-12-31 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-Ray Crystal Structure of the Full Length Human Chitotriosidase (CHIT1) Reveals Features of Its Chitin Binding Domain. Plos One, 11, 2016
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5HR0
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![BU of 5hr0 by Molmil](/molmil-images/mine/5hr0) | Crystal structure of thioredoxin E101G mutant | Descriptor: | COPPER (II) ION, Thioredoxin | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2016-01-22 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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