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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
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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BU of 8fo4 by Molmil
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
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
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
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
1BM7
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BU of 1bm7 by Molmil
HUMAN TRANSTHYRETIN (PREALBUMIN) COMPLEX WITH FLUFENAMIC ACID (2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID)
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, PROTEIN (TRANSTHYRETIN)
Authors:Klabunde, T, Kelly, J.W, Sacchettini, J.C.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BMZ
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BU of 1bmz by Molmil
HUMAN TRANSTHYRETIN (PREALBUMIN)
Descriptor: PROTEIN (TRANSTHYRETIN)
Authors:Klabunde, T, Kelly, J.W, Sacchettini, J.C.
Deposit date:1998-07-27
Release date:1998-08-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 95, 1998
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
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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BU of 6mg5 by Molmil
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
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
7LMR
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BU of 7lmr by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 63 [4-methyl-3-(morpholinomethyl)-7-(2-phenylpropoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one, 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 (2.09 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMP
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BU of 7lmp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 36 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-8-(1H-imidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione]
Descriptor: 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-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 (2.29 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
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
7LMQ
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BU of 7lmq by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 62 [4-methyl-3-(morpholinomethyl)-7-(1-phenylethoxy)-2H-chromen-2-one]
Descriptor: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one, 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 (1.91 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
7LMN
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BU of 7lmn by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 26 [2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate]
Descriptor: 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate, 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 (2.01 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
1DVT
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BU of 1dvt by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH FLURBIPROFEN
Descriptor: FLURBIPROFEN, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVY
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BU of 1dvy by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
Descriptor: N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVU
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BU of 1dvu by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DIBENZOFURAN-4,6-DICARBOXYLIC ACID
Descriptor: DIBENZOFURAN-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVX
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BU of 1dvx by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH DICLOFENAC
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVZ
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BU of 1dvz by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
Descriptor: O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-23
Release date:2001-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVQ
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BU of 1dvq by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN
Descriptor: TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1DVS
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BU of 1dvs by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH RESVERATROL
Descriptor: RESVERATROL, TRANSTHYRETIN
Authors:Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C.
Deposit date:2000-01-22
Release date:2001-01-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational design of potent human transthyretin amyloid disease inhibitors.
Nat.Struct.Biol., 7, 2000
1U21
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BU of 1u21 by Molmil
transthyretin with tethered inhibitor on one monomer.
Descriptor: 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin
Authors:Wiseman, R.L, Johnson, S.M, Kelker, M.S, Foss, T, Wilson, I.A, Kelly, J.W.
Deposit date:2004-07-16
Release date:2005-06-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Kinetic stabilization of an oligomeric protein by a single ligand binding event
J.Am.Chem.Soc., 127, 2005

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