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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2AGT
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![BU of 2agt by Molmil](/molmil-images/mine/2agt) | Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A. | Deposit date: | 2005-07-27 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex J.Med.Chem., 48, 2005
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6Q39
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![BU of 6q39 by Molmil](/molmil-images/mine/6q39) | Complex of Arginase 2 with Example 49 | Descriptor: | 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ... | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | Deposit date: | 2018-12-03 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.213 Å) | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II. J.Med.Chem., 62, 2019
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6Q37
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![BU of 6q37 by Molmil](/molmil-images/mine/6q37) | Complex of Arginase 2 with Example 23 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, ... | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | Deposit date: | 2018-12-03 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II. J.Med.Chem., 62, 2019
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5CE5
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![BU of 5ce5 by Molmil](/molmil-images/mine/5ce5) | Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, CALCIUM ION, ... | Authors: | Sezerman, O.U, Podjarny, A.D, Emel, T, Cousido-Siah, A, Mitschler, A. | Deposit date: | 2015-07-06 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5. Proteins, 84, 2016
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7R2T
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![BU of 7r2t by Molmil](/molmil-images/mine/7r2t) | SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position. | Descriptor: | CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ... | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | Deposit date: | 2022-02-05 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide. To Be Published
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7P73
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![BU of 7p73 by Molmil](/molmil-images/mine/7p73) | The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 | Descriptor: | CALCIUM ION, GLYCEROL, Protein Tax-1, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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7P74
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![BU of 7p74 by Molmil](/molmil-images/mine/7p74) | The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 | Descriptor: | CALCIUM ION, GLYCEROL, Ribosomal protein S6 kinase alpha-1, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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7P70
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![BU of 7p70 by Molmil](/molmil-images/mine/7p70) | The PDZ-domain of SNTB1 complexed with the PDZ-binding motif of HPV35-E6 | Descriptor: | Beta-1-syntrophin,Annexin A2, CALCIUM ION, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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7P71
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![BU of 7p71 by Molmil](/molmil-images/mine/7p71) | The PDZ domain of MAGI1_2 complexed with the PDZ-binding motif of HPV35-E6 | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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7P72
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![BU of 7p72 by Molmil](/molmil-images/mine/7p72) | The PDZ domain of SNX27 complexed with the PDZ-binding motif of MERS-E | Descriptor: | CALCIUM ION, Envelope small membrane protein, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
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8AEL
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![BU of 8ael by Molmil](/molmil-images/mine/8ael) | SYNJ2BP complex with a synthetic Vangl2 peptide (3mer). | Descriptor: | CALCIUM ION, GLY-GLY-GLY-THR-SER-VAL, GLYCEROL, ... | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | Deposit date: | 2022-07-13 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide. To Be Published
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3QF6
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![BU of 3qf6 by Molmil](/molmil-images/mine/3qf6) | Neutron structure of type-III Antifreeze Protein allows the reconstruction of AFP-ice interface | Descriptor: | Type-3 ice-structuring protein HPLC 12 | Authors: | Howard, E.I, Blakeley, M.P, Haertlein, M, Petit-Haertlein, I, Mitschler, A, Fisher, S.J, Cousido-Siah, A, Salvay, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A. | Deposit date: | 2011-01-21 | Release date: | 2011-06-22 | Last modified: | 2024-03-20 | Method: | NEUTRON DIFFRACTION (1.85 Å) | Cite: | Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface. J.Mol.Recognit., 24, 2011
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5NRF
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![BU of 5nrf by Molmil](/molmil-images/mine/5nrf) | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i | Descriptor: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.447 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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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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5HR1
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![BU of 5hr1 by Molmil](/molmil-images/mine/5hr1) | 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
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2QXW
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![BU of 2qxw by Molmil](/molmil-images/mine/2qxw) | Perdeuterated alr2 in complex with idd594 | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O, Cousido-Siah, A, Joachimiak, A, Myles, D, Podjarny, A. | Deposit date: | 2007-08-13 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase. Proc.Natl.Acad.Sci.Usa, 105, 2008
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2R24
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![BU of 2r24 by Molmil](/molmil-images/mine/2r24) | Human Aldose Reductase structure | Descriptor: | Aldose reductase, IDD594, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O.N, Cousido-Siah, A, Haertlein, M, Joachimiak, A, Myles, D, Podjarny, A. | Deposit date: | 2007-08-24 | Release date: | 2008-12-23 | Last modified: | 2024-02-21 | Method: | NEUTRON DIFFRACTION (1.752 Å), X-RAY DIFFRACTION | Cite: | Quantum model of catalysis based on mobile proton revealed by subatomic X-Ray and neutron diffraction studies of h-Aldose Reductase Proc.Natl.Acad.Sci.USA, 105, 2008
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6TWZ
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![BU of 6twz by Molmil](/molmil-images/mine/6twz) | 14-3-3 sigma complexed with a phosphorylated 16E6 peptide | Descriptor: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D(-)-TARTARIC ACID, ... | Authors: | Gogl, G, Cousido-Siah, A, Sluchanko, N.N, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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6TWY
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![BU of 6twy by Molmil](/molmil-images/mine/6twy) | MAGI1_2 complexed with a phosphomimetic RSK1 peptide | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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6TWU
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![BU of 6twu by Molmil](/molmil-images/mine/6twu) | MAGI1_2 complexed with a phosphomimetic 16E6 peptide | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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6TWQ
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![BU of 6twq by Molmil](/molmil-images/mine/6twq) | MAGI1_2 complexed with a 16E6 peptide | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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