5XHE
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![BU of 5xhe by Molmil](/molmil-images/mine/5xhe) | Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, TRIETHYLENE GLYCOL | Authors: | Padmanabhan, B, Mathur, S, Tripathi, S.K, Deshmukh, P. | Deposit date: | 2017-04-20 | Release date: | 2017-09-06 | Last modified: | 2018-08-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs. J. Biomol. Struct. Dyn., 36, 2018
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5XHK
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![BU of 5xhk by Molmil](/molmil-images/mine/5xhk) | Crystal structure of the BRD2-BD2 in complex with phenanthridinone | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, METHOXYETHANE, ... | Authors: | Padmanabhan, B, Mathur, S, Tripathi, S, Deshmukh, P. | Deposit date: | 2017-04-21 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs. J. Biomol. Struct. Dyn., 36, 2018
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6JKE
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![BU of 6jke by Molmil](/molmil-images/mine/6jke) | 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
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6LRZ
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![BU of 6lrz by Molmil](/molmil-images/mine/6lrz) | 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
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7ENZ
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![BU of 7enz by Molmil](/molmil-images/mine/7enz) | 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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7C5E
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![BU of 7c5e by Molmil](/molmil-images/mine/7c5e) | 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
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7C60
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![BU of 7c60 by Molmil](/molmil-images/mine/7c60) | 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
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7ENV
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![BU of 7env by Molmil](/molmil-images/mine/7env) | crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1). | Descriptor: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, SULFATE ION | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | Deposit date: | 2021-04-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 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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7EO5
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![BU of 7eo5 by Molmil](/molmil-images/mine/7eo5) | Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2 | Descriptor: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL | 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 (2 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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7EXI
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![BU of 7exi by Molmil](/molmil-images/mine/7exi) | |
7VRM
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![BU of 7vrm by Molmil](/molmil-images/mine/7vrm) | crystal structure of BRD2-BD2 in complex with purine derivative | Descriptor: | Bromodomain-containing protein 2, THEOPHYLLINE | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-23 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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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7VRO
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![BU of 7vro by Molmil](/molmil-images/mine/7vro) | crystal structure of BRD2-BD1 in complex with purine derivative | Descriptor: | Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-23 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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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7VRQ
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![BU of 7vrq by Molmil](/molmil-images/mine/7vrq) | crystal structure of BRD2-BD2 in complex with purine derivative | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-23 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | 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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7VSF
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![BU of 7vsf by Molmil](/molmil-images/mine/7vsf) | crystal structure of BRD2-BD1 in complex with purine derivative | Descriptor: | 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ... | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-26 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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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7VS0
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![BU of 7vs0 by Molmil](/molmil-images/mine/7vs0) | crystal structure of BRD2-BD2 in complex with purine derivative | Descriptor: | Bromodomain-containing protein 2, Doxofylline, GLYCEROL | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-25 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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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7VRK
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![BU of 7vrk by Molmil](/molmil-images/mine/7vrk) | crystal structure of BRD2-BD1 in complex with purine derivative | Descriptor: | Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-23 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | 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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7VRH
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![BU of 7vrh by Molmil](/molmil-images/mine/7vrh) | crystal structure of BRD2-BD1 in complex with guanosine analog | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ... | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-22 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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7VS1
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![BU of 7vs1 by Molmil](/molmil-images/mine/7vs1) | crystal structure of BRD2-BD2 in complex with purine derivative | Descriptor: | 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-25 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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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7VRI
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![BU of 7vri by Molmil](/molmil-images/mine/7vri) | crystal structure of BRD2-BD2 in complex with guanosine analog | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2 | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-23 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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7VRZ
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![BU of 7vrz by Molmil](/molmil-images/mine/7vrz) | crystal structure of BRD2-BD1 in complex with purine derivative | Descriptor: | Bromodomain-containing protein 2, Doxofylline, SULFATE ION | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | Deposit date: | 2021-10-25 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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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