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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]
分子名称: 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
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2021-08-13
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Amyloidogenic immunoglobulin light chain kinetic stabilizers comprising a simple urea linker module reveal a novel binding sub-site.
Bioorg.Med.Chem.Lett., 60, 2022
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]
分子名称: (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
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2021-02-05
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
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]
分子名称: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{S})-2-phenylpropoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2021-02-05
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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]
分子名称: 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
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2021-02-05
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献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]
分子名称: 4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{R})-1-phenylethoxy]chromen-2-one, JTO light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2021-02-05
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献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]
分子名称: 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
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2021-02-05
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
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
分子名称: 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide, GLYCEROL, JTO light chain, ...
著者Yan, N.L, Morgan, G.J, Kelly, J.W.
登録日2020-03-11
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis for the stabilization of amyloidogenic immunoglobulin light chains by hydantoins.
Bioorg.Med.Chem.Lett., 30, 2020
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
分子名称: 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide, H9 immunoglobulin light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2022-12-29
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one, H9 immunoglobulin light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2022-12-29
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one, H9 immunoglobulin light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2022-12-29
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
7THA
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BU of 7tha by Molmil
Crystal structure of human transthyretin variant C10A/M13V
分子名称: CALCIUM ION, Transthyretin
著者Jaeger, M, Mortenson, D.E, Yan, N.L, Kelly, J.W.
登録日2022-01-10
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Lysine carbamylation competes with urea unfolding of human transthyretin introducing kinetic heterogeneity
To Be Published
6MG4
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BU of 6mg4 by Molmil
Structure of full-length human lambda-6A light chain JTO
分子名称: JTO light chain
著者Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
登録日2018-09-12
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION
著者Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
登録日2018-09-12
公開日2019-04-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019

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件を2024-06-12に公開中

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