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PDB: 20 件
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.
分子名称: 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, ...
著者Padmanabhan, B, Mathur, S, Deshmukh, P.
登録日2019-02-28
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
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).
分子名称: Bromodomain-containing protein 2, TRIETHYLENE GLYCOL, phenanthridin-6(5H)-one
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-21
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
5XHE
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BU of 5xhe by Molmil
Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol
分子名称: Bromodomain-containing protein 2, GLYCEROL, TRIETHYLENE GLYCOL
著者Padmanabhan, B, Mathur, S, Tripathi, S.K, Deshmukh, P.
登録日2017-04-20
公開日2017-09-06
最終更新日2018-08-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs.
J. Biomol. Struct. Dyn., 36, 2018
5XHK
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BU of 5xhk by Molmil
Crystal structure of the BRD2-BD2 in complex with phenanthridinone
分子名称: Bromodomain-containing protein 2, GLYCEROL, METHOXYETHANE, ...
著者Padmanabhan, B, Mathur, S, Tripathi, S, Deshmukh, P.
登録日2017-04-21
公開日2017-09-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs.
J. Biomol. Struct. Dyn., 36, 2018
7C5E
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BU of 7c5e by Molmil
Crystal structure of Keap1 in complex with fumarate (FUM)
分子名称: ACETATE ION, FUMARIC ACID, Kelch-like ECH-associated protein 1, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P.
登録日2020-05-19
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7C60
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BU of 7c60 by Molmil
Crystal structure of Keap1 in complex with monoethyl fumarate (MEF)
分子名称: (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G.
登録日2020-05-21
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
6LRZ
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BU of 6lrz by Molmil
Crystal structure of Keap1 in complex with dimethyl fumarate (DMF)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P.
登録日2020-01-16
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7ENV
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BU of 7env by Molmil
crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1).
分子名称: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, SULFATE ION
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-19
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
7EO5
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BU of 7eo5 by Molmil
Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2
分子名称: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-21
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
7EXI
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BU of 7exi by Molmil
Crystal structure of the BTB domain human Keap1
分子名称: Kelch-like ECH-associated protein 1
著者Padmanabhan, B, Deshmukh, P, Gopinath, K, Unni, S.
登録日2021-05-27
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of the BTB domain human Keap1
To Be Published
7VRO
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BU of 7vro by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRM
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BU of 7vrm by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, THEOPHYLLINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VS1
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BU of 7vs1 by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-25
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRK
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BU of 7vrk by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VSF
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BU of 7vsf by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-26
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRZ
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BU of 7vrz by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, Doxofylline, SULFATE ION
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-25
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRQ
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BU of 7vrq by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRI
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BU of 7vri by Molmil
crystal structure of BRD2-BD2 in complex with guanosine analog
分子名称: 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRH
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BU of 7vrh by Molmil
crystal structure of BRD2-BD1 in complex with guanosine analog
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ...
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-22
公開日2023-02-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VS0
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BU of 7vs0 by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, Doxofylline, GLYCEROL
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-25
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023

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