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1EKO
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BU of 1eko by Molmil
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:2017-10-04
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
1EL3
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BU of 1el3 by Molmil
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:2024-02-07
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
5NR8
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BU of 5nr8 by Molmil
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
1AH4
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BU of 1ah4 by Molmil
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:2011-07-13
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
8GEW
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BU of 8gew by Molmil
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:2023-10-18
Method:X-RAY DIFFRACTION (0.973 Å)
Cite:Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation.
Proteins, 91, 2023
1AH3
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BU of 1ah3 by Molmil
ALDOSE REDUCTASE COMPLEXED WITH TOLRESTAT INHIBITOR
Descriptor: ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
Authors:Moras, D, Podjarny, A.
Deposit date:1997-04-12
Release date:1998-04-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 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
4WK9
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BU of 4wk9 by Molmil
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
4WJX
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BU of 4wjx by Molmil
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
4WKH
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BU of 4wkh by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 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 (1.05 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
4WEV
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BU of 4wev by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and sulindac
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A.
Deposit date:2014-09-11
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.453 Å)
Cite:Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
4WKF
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BU of 4wkf by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) 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:2020-07-29
Method:X-RAY DIFFRACTION (1.101 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
4WKA
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BU of 4wka by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 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:2014-10-02
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.95 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
6B9O
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BU of 6b9o by Molmil
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
6B9P
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BU of 6b9p by Molmil
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
7LYZ
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BU of 7lyz by Molmil
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:2011-07-13
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
5EUC
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BU of 5euc by Molmil
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
6SJV
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BU of 6sjv by Molmil
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:2022-03-30
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
6SJA
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BU of 6sja by Molmil
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
6SMV
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BU of 6smv by Molmil
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
6SIV
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BU of 6siv by Molmil
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:2022-03-30
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Deciphering the molecular and structural interaction between IRF3 and HPV16 E6
To be published
5HR3
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BU of 5hr3 by Molmil
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
5HBF
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BU of 5hbf by Molmil
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
5HR0
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BU of 5hr0 by Molmil
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
5HR1
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BU of 5hr1 by Molmil
Crystal structure of thioredoxin L107A mutant
Descriptor: COPPER (II) ION, Thioredoxin-1
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 (2.144 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HR2
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BU of 5hr2 by Molmil
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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