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6LRZ
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BU of 6lrz by Molmil
Crystal structure of Keap1 in complex with dimethyl fumarate (DMF)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ...
Authors:Padmanabhan, B, Unni, S, Deshmukh, P.
Deposit date:2020-01-16
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7XX3
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BU of 7xx3 by Molmil
Crystal structure of human Superoxide Dismutase (SOD1) in complex with a fungal metabolite molecule, Phialomustin B (PB)
Descriptor: (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Padmanabhan, B, Unni, S.
Deposit date:2022-05-28
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phialomustin-B a fungal metabolite isolated from Phialophora mustea modulates Superoxide Dismutase 1 (SOD1) aggregation: Therapeutic potential in Amyotrophic lateral sclerosis (ALS)
To Be Published
7C60
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BU of 7c60 by Molmil
Crystal structure of Keap1 in complex with monoethyl fumarate (MEF)
Descriptor: (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G.
Deposit date:2020-05-21
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7C5E
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BU of 7c5e by Molmil
Crystal structure of Keap1 in complex with fumarate (FUM)
Descriptor: ACETATE ION, FUMARIC ACID, Kelch-like ECH-associated protein 1, ...
Authors:Padmanabhan, B, Unni, S, Deshmukh, P.
Deposit date:2020-05-19
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7EXI
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BU of 7exi by Molmil
Crystal structure of the BTB domain human Keap1
Descriptor: Kelch-like ECH-associated protein 1
Authors:Padmanabhan, B, Deshmukh, P, Gopinath, K, Unni, S.
Deposit date:2021-05-27
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of the BTB domain human Keap1
To Be Published
6A9O
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BU of 6a9o by Molmil
Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis
Descriptor: 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ...
Authors:Manjula, R, Padmanabhan, B.
Deposit date:2018-07-14
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis.
J.Biomol.Struct.Dyn., 37, 2019

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