5TZL
| Structure of transthyretin in complex with the kinetic stabilizer 201 | Descriptor: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | Authors: | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | Deposit date: | 2016-11-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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1PU0
| Structure of Human Cu,Zn Superoxide Dismutase | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2003-06-23 | Release date: | 2003-09-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization J.Mol.Biol., 332, 2003
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1PTZ
| Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2003-06-23 | Release date: | 2003-09-09 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization J.Mol.Biol., 332, 2003
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2M9F
| NMR solution structure of Pin1 WW domain mutant 5-1g | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | Deposit date: | 2013-06-07 | Release date: | 2013-06-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins. J.Am.Chem.Soc., 135, 2013
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2M9E
| NMR solution structure of Pin1 WW domain mutant 5-1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | Deposit date: | 2013-06-07 | Release date: | 2013-06-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins. J.Am.Chem.Soc., 135, 2013
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2M9I
| NMR solution structure of Pin1 WW domain variant 6-1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | Deposit date: | 2013-06-10 | Release date: | 2013-06-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins. J.Am.Chem.Soc., 135, 2013
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2M9J
| NMR solution structure of Pin1 WW domain mutant 6-1g | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Enck, S, Chen, W, Price, J.L, Powers, E.T, Wong, C, Dyson, H.J, Kelly, J.W. | Deposit date: | 2013-06-10 | Release date: | 2013-06-26 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Structural and energetic basis of carbohydrate-aromatic packing interactions in proteins. J.Am.Chem.Soc., 135, 2013
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2NC4
| Solution Structure of N-Galactosylated Pin1 WW Domain | Descriptor: | Pin1 WW Domain, beta-D-galactopyranose | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | Deposit date: | 2016-03-20 | Release date: | 2016-06-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate. J.Am.Chem.Soc., 138, 2016
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2NC5
| Solution Structure of N-Xylosylated Pin1 WW Domain | Descriptor: | Pin1 WW Domain, beta-D-xylopyranose | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | Deposit date: | 2016-03-20 | Release date: | 2016-06-08 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate. J.Am.Chem.Soc., 138, 2016
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2NC3
| Solution Structure of N-Allosylated Pin1 WW Domain | Descriptor: | Pin1 WW Domain, beta-D-allopyranose | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | Deposit date: | 2016-03-20 | Release date: | 2016-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate. J.Am.Chem.Soc., 138, 2016
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2NC6
| Solution Structure of N-L-idosylated Pin1 WW Domain | Descriptor: | Pin1 WW Domain, beta-L-idopyranose | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | Deposit date: | 2016-03-20 | Release date: | 2016-06-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate. J.Am.Chem.Soc., 138, 2016
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2F8I
| Human transthyretin (TTR) complexed with Benzoxazole | Descriptor: | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Mohamedmohaideen, N.N, Sacchettini, J.C, Kelly, J.W. | Deposit date: | 2005-12-02 | Release date: | 2005-12-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | Benzoxazoles as transthyretin amyloid fibril inhibitors: synthesis, evaluation, and mechanism of action Angew.Chem.Int.Ed.Engl., 42, 2003
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5HZQ
| Crystal structure of cellular retinoic acid binding protein 2 (CRABP2)-aryl fluorosulfate covalent conjugate | Descriptor: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate, Cellular retinoic acid-binding protein 2, GLYCEROL | Authors: | Chen, W, Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2016-02-02 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Arylfluorosulfates Inactivate Intracellular Lipid Binding Protein(s) through Chemoselective SuFEx Reaction with a Binding Site Tyr Residue. J.Am.Chem.Soc., 138, 2016
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8VE3
| Unliganded human transthyretin in the compressed conformation | Descriptor: | Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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8VE2
| Unliganded human transthyretin in the canonical conformation | Descriptor: | Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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8VE1
| Human transthyretin covalently modified with A2-derived stilbene in the canonical conformation | Descriptor: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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8VE5
| (Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the compressed conformation | Descriptor: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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8VE6
| (Biarylamine-FT2-WT)1(C10A)3-human transthyretin in the frayed conformation | Descriptor: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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8VE4
| Unliganded human transthyretin in the frayed conformation | Descriptor: | Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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3TCT
| Structure of wild-type TTR in complex with tafamidis | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Connelly, S, Kelly, J.W, Wilson, I.A. | Deposit date: | 2011-08-09 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tafamidis, a potent and selective transthyretin kinetic stabilizer that inhibits the amyloid cascade. Proc.Natl.Acad.Sci.USA, 109, 2012
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8VE0
| Human transthyretin covalently modified with A2-derived stilbene in the compressed conformation | Descriptor: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid, Transthyretin | Authors: | Basanta, B, Nugroho, K, Yan, N, Kline, G.M, Tsai, F.J, Wu, M, Kelly, J.W, Lander, G.C. | Deposit date: | 2023-12-18 | Release date: | 2024-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The conformational landscape of human transthyretin revealed by cryo-EM To Be Published
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4QGT
| The Crystal Structure of Human IgG Fc Domain with Enhanced Aromatic Sequon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Kong, L, Connelly, S.C, Wilson, I.A. | Deposit date: | 2014-05-25 | Release date: | 2015-04-08 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Stabilizing the CH2 Domain of an Antibody by Engineering in an Enhanced Aromatic Sequon. Acs Chem.Biol., 11, 2016
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5UEH
| Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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5UI4
| Structure of NME1 covalently conjugated to imidazole fluorosulfate | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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4FI8
| Kinetic Stabilization of transthyretin through covalent modification of K15 by 4-bromo-3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | Descriptor: | 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | Authors: | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | Deposit date: | 2012-06-08 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc., 135, 2013
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