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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
6JKE
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BU of 6jke by Molmil
Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2.
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ...
Authors:Padmanabhan, B, Mathur, S, Deshmukh, P.
Deposit date:2019-02-28
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
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
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
7ENZ
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BU of 7enz by Molmil
Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2).
Descriptor: Bromodomain-containing protein 2, TRIETHYLENE GLYCOL, phenanthridin-6(5H)-one
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
Deposit date:2021-04-21
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022

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