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PDB: 69 results

7RTP
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BU of 7rtp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with urea stabilizer 20 [1-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-3-(pyridin-3-ylmethyl)urea]
Descriptor: JTO light chain, N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-08-13
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Amyloidogenic immunoglobulin light chain kinetic stabilizers comprising a simple urea linker module reveal a novel binding sub-site.
Bioorg.Med.Chem.Lett., 60, 2022
3D2T
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BU of 3d2t by Molmil
Human transthyretin (ttr) complexed with diflunisal
Descriptor: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin
Authors:Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C.
Deposit date:2008-05-08
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis.
J.Med.Chem., 47, 2004
2G5U
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Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl
Descriptor: 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-02-23
Release date:2006-03-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2G9K
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BU of 2g9k by Molmil
Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl
Descriptor: 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin
Authors:Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
Deposit date:2006-03-06
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
5HZQ
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BU of 5hzq by Molmil
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
3CBR
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BU of 3cbr by Molmil
Crystal structure of human Transthyretin (TTR) at pH3.5
Descriptor: Transthyretin
Authors:Mohamedmohaideen, N.N, Palaninathan, S.K, Snee, W.C, Kelly, J.W, C Sacchettini, J.
Deposit date:2008-02-22
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
3D7P
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Crystal structure of human Transthyretin (TTR) at pH 4.0
Descriptor: Transthyretin
Authors:Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C.
Deposit date:2008-05-21
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
6MG4
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BU of 6mg4 by Molmil
Structure of full-length human lambda-6A light chain JTO
Descriptor: JTO light chain
Authors:Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
Deposit date:2018-09-12
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
6MG5
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Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1
Descriptor: 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION
Authors:Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
Deposit date:2018-09-12
Release date:2019-04-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
3TFB
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Transthyretin natural mutant A25T
Descriptor: Transthyretin
Authors:Azevedo, E.P.C, Pereira, H.M, Garratt, R.C, Kelly, J.W, Foguel, D, Palhano, F.L.
Deposit date:2011-08-15
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Dissecting the Structure, Thermodynamic Stability, and Aggregation Properties of the A25T Transthyretin (A25T-TTR) Variant Involved in Leptomeningeal Amyloidosis: Identifying Protein Partners That Co-Aggregate during A25T-TTR Fibrillogenesis in Cerebrospinal Fluid.
Biochemistry, 50, 2011
3TCT
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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
8FO3
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BU of 8fo3 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with (E)-3-nitro-4-(2-(2-phenylpropylidene)hydrazineyl)benzenesulfonamide
Descriptor: 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide, H9 immunoglobulin light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2022-12-29
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
8FO4
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Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 6-methyl-2-(2-((1E,2E)-3-(2-nitrophenyl)allylidene)hydrazineyl)pyrimidin-4-ol
Descriptor: 6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one, H9 immunoglobulin light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2022-12-29
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
8FO5
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BU of 8fo5 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethan-1-one
Descriptor: 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one, H9 immunoglobulin light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2022-12-29
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
1GKO
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BU of 1gko by Molmil
An Engineered Transthyretin Monomer that is Non-amyloidogenic - Unless Partially Denatured
Descriptor: TRANSTHYRETIN
Authors:Jiang, X, Smith, C.S, Petrassi, H.M, Hammarstrom, P, White, J.T, Sacchettini, J.C, Kelly, J.W.
Deposit date:2001-08-17
Release date:2001-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Engineered Transthyretin Monomer that is Nonamyloidogenic, Unless It is Partially Denatured
Biochemistry, 40, 2001
6W4Y
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BU of 6w4y by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with hydantoin stabilizer
Descriptor: 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide, GLYCEROL, JTO light chain, ...
Authors:Yan, N.L, Morgan, G.J, Kelly, J.W.
Deposit date:2020-03-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for the stabilization of amyloidogenic immunoglobulin light chains by hydantoins.
Bioorg.Med.Chem.Lett., 30, 2020
7THA
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BU of 7tha by Molmil
Crystal structure of human transthyretin variant C10A/M13V
Descriptor: CALCIUM ION, Transthyretin
Authors:Jaeger, M, Mortenson, D.E, Yan, N.L, Kelly, J.W.
Deposit date:2022-01-10
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lysine carbamylation competes with urea unfolding of human transthyretin introducing kinetic heterogeneity
To Be Published
8VE6
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BU of 8ve6 by Molmil
(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
8VE4
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BU of 8ve4 by Molmil
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
8VE0
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BU of 8ve0 by Molmil
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
8VE3
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BU of 8ve3 by Molmil
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
8VE2
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BU of 8ve2 by Molmil
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
8VE1
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BU of 8ve1 by Molmil
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
8VE5
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BU of 8ve5 by Molmil
(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
7LMO
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BU of 7lmo by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 34 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione]
Descriptor: (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021

 

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