3DHJ
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![BU of 3dhj by Molmil](/molmil-images/mine/3dhj) | Beta 2 microglobulin mutant W60C | Descriptor: | Beta-2-microglobulin | Authors: | Ricagno, S, Colombo, M, de Rosa, M, Bolognesi, M, Giorgetti, S, Bellotti, V. | Deposit date: | 2008-06-18 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DE loop mutations affect beta2-microglobulin stability and amyloid aggregation Biochem.Biophys.Res.Commun., 377, 2008
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6ZGR
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![BU of 6zgr by Molmil](/molmil-images/mine/6zgr) | Crystal structure of a MFS transporter with bound 1-hydroxynaphthalene-2-carboxylic acid at 2.67 Angstroem resolution | Descriptor: | 1-hydroxynaphthalene-2-carboxylic acid, L-lactate transporter | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
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6ZGU
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![BU of 6zgu by Molmil](/molmil-images/mine/6zgu) | Crystal structure of a MFS transporter with bound 3-(2-methylphenyl)propanoic acid at 2.41 Angstroem resolution | Descriptor: | 3-(2-methylphenyl)propanoic acid, L-lactate transporter | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
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6ZGT
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![BU of 6zgt by Molmil](/molmil-images/mine/6zgt) | Crystal structure of a MFS transporter with bound 2-naphthoic acid at 2.39 Angstroem resolution | Descriptor: | L-lactate transporter, naphthalene-2-carboxylic acid | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
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6ZGS
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![BU of 6zgs by Molmil](/molmil-images/mine/6zgs) | Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 Angstroem resolution | Descriptor: | HYDROCINNAMIC ACID, L-lactate transporter | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2020-06-19 | Release date: | 2021-10-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | The making of a potent L-lactate transport inhibitor Commun Chem, 4, 2021
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8B4C
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![BU of 8b4c by Molmil](/molmil-images/mine/8b4c) | ToxR bacterial transcriptional regulator bound to 20 bp toxT promoter DNA | Descriptor: | Cholera toxin transcriptional activator, DNA (20-MER) | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4E
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![BU of 8b4e by Molmil](/molmil-images/mine/8b4e) | ToxR bacterial transcriptional regulator bound to 25 bp toxT promoter DNA | Descriptor: | Cholera toxin transcriptional activator, DNA (25-MER) | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4B
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![BU of 8b4b by Molmil](/molmil-images/mine/8b4b) | ToxR bacterial transcriptional regulator bound to 19 bp ompU promoter DNA | Descriptor: | AMMONIUM ION, CADMIUM ION, Cholera toxin transcriptional activator, ... | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4D
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![BU of 8b4d by Molmil](/molmil-images/mine/8b4d) | ToxR bacterial transcriptional regulator bound to 40 bp toxT promoter DNA | Descriptor: | Cholera toxin transcriptional activator, DNA (40-MER) | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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7Z60
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![BU of 7z60 by Molmil](/molmil-images/mine/7z60) | Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside | Descriptor: | 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ... | Authors: | Ciccone, L, Braca, A, Orlandini, E, Nencetti, S. | Deposit date: | 2022-03-10 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization Crystals, 12, 2022
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6HCL
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![BU of 6hcl by Molmil](/molmil-images/mine/6hcl) | Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2018-08-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family. Nat Commun, 10, 2019
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5E4O
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![BU of 5e4o by Molmil](/molmil-images/mine/5e4o) | Human transthyretin (TTR) complexed with (Z)-((3,4-Dichloro-phenyl)-methyleneaminooxy)-acetic acid | Descriptor: | ({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid, Transthyretin | Authors: | Ciccone, L, Savko, M, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2015-10-06 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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5E23
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![BU of 5e23 by Molmil](/molmil-images/mine/5e23) | Human transthyretin (TTR) complexed with (2,7-Dibromo-fluoren-9-ylideneaminooxy)-acetic acid | Descriptor: | DIMETHYL SULFOXIDE, Transthyretin, {[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2015-09-30 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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5EZP
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![BU of 5ezp by Molmil](/molmil-images/mine/5ezp) | Human transthyretin (TTR) complexed with 4-hydroxy-chalcone | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-chalcone, Transthyretin | Authors: | Polsinelli, I, Nencetti, S, Shepard, W.E, Orlandini, E, Stura, E.A. | Deposit date: | 2015-11-26 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new crystal form of human transthyretin obtained with a curcumin derived ligand. J.Struct.Biol., 194, 2016
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6TI9
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![BU of 6ti9 by Molmil](/molmil-images/mine/6ti9) | Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid. | Descriptor: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ... | Authors: | Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W. | Deposit date: | 2019-11-22 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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6TJN
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![BU of 6tjn by Molmil](/molmil-images/mine/6tjn) | Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | Descriptor: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | Authors: | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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6G9X
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![BU of 6g9x by Molmil](/molmil-images/mine/6g9x) | Crystal structure of a MFS transporter at 2.54 Angstroem resolution | Descriptor: | 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ... | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | Deposit date: | 2018-04-11 | Release date: | 2019-07-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family. Nat Commun, 10, 2019
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4TQP
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![BU of 4tqp by Molmil](/molmil-images/mine/4tqp) | Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode | Descriptor: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQI
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![BU of 4tqi by Molmil](/molmil-images/mine/4tqi) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | Authors: | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQ8
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![BU of 4tq8 by Molmil](/molmil-images/mine/4tq8) | Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | Deposit date: | 2014-06-10 | Release date: | 2015-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQH
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![BU of 4tqh by Molmil](/molmil-images/mine/4tqh) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid | Descriptor: | 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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3TLM
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![BU of 3tlm by Molmil](/molmil-images/mine/3tlm) | Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | Deposit date: | 2011-08-30 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle. J.Struct.Biol., 178, 2012
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3FAL
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![BU of 3fal by Molmil](/molmil-images/mine/3fal) | humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186 | Descriptor: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | Authors: | Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L. | Deposit date: | 2008-11-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J.Med.Chem., 51, 2008
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2QHD
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![BU of 2qhd by Molmil](/molmil-images/mine/2qhd) | Crystal structure of ecarpholin S (ser49-PLA2) complexed with fatty acid | Descriptor: | LAURIC ACID, Phospholipase A2 | Authors: | Zhou, X, Tan, T.C, Valiyaveettil, S, Go, M.L, Kini, R.M, Sivaraman, J. | Deposit date: | 2007-07-02 | Release date: | 2007-10-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom Biophys.J., 95, 2008
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2QHE
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![BU of 2qhe by Molmil](/molmil-images/mine/2qhe) | Crystal structure of Ser49-PLA2 (ecarpholin S) from Echis carinatus sochureki snake venom | Descriptor: | Phospholipase A2 | Authors: | Zhou, X, Valiyaveettil, S, Go, M.L, Kini, R.M, Sivaraman, J. | Deposit date: | 2007-07-02 | Release date: | 2007-10-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom Biophys.J., 95, 2008
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