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6NP7
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BU of 6np7 by Molmil
Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
分子名称: Bromodomain factor 2 protein
著者Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC)
登録日2019-01-17
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
to be published
6NEY
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BU of 6ney by Molmil
Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi
分子名称: Uncharacterized protein
著者Loppnau, P, Dong, A, Tempel, W, Lin, Y.H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC)
登録日2018-12-18
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi
To Be Published
6NEZ
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Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein
著者Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC)
登録日2018-12-18
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
to be published
6NIM
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Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
分子名称: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
著者Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC)
登録日2018-12-29
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
8IBQ
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BU of 8ibq by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
8IDH
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Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-13
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
3LJW
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BU of 3ljw by Molmil
Crystal Structure of the Second Bromodomain of Human Polybromo
分子名称: ACETATE ION, Protein polybromo-1, SODIUM ION
著者Charlop-Powers, Z, Zhou, M.M, Zeng, L, Zhang, Q.
登録日2010-01-26
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
分子名称: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
著者Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
登録日2021-12-07
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
6ZS3
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BU of 6zs3 by Molmil
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
分子名称: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1
著者Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-07-15
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
3LXJ
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Crystal Structure of the Bromodomain of Human AAA domain containing 2B (ATAD2B)
分子名称: ATPase family AAA domain-containing protein 2B, ISOPROPYL ALCOHOL
著者Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Krojer, T, Vollmar, M, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-02-25
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7AV9
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BU of 7av9 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
分子名称: 1,2-ETHANEDIOL, PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2020-11-04
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
To Be Published
7AJN
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BU of 7ajn by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
著者Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
登録日2020-09-29
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
7TV0
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BU of 7tv0 by Molmil
Crystal structure of BRD4 bromodomain 1 in complex with dual-acetylated SARS-CoV-2 E
分子名称: Bromodomain-containing protein 4, Envelope small membrane protein
著者Vann, K.R, Holt, T.A, Kutateladze, T.G.
登録日2022-02-03
公開日2022-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
7TUQ
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BU of 7tuq by Molmil
Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-CoV-2 E
分子名称: Bromodomain-containing protein 4, Envelope small membrane protein
著者Vann, K.R, Kutateladze, T.G.
登録日2022-02-03
公開日2022-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
7AV8
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BU of 7av8 by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
分子名称: PH-interacting protein
著者Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-11-04
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
3MB4
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BU of 3mb4 by Molmil
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
分子名称: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, CHLORIDE ION, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-03-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7TO9
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BU of 7to9 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE)
分子名称: 2xAcK.4xE (diAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
著者Mackay, J.P, Low, J.K.K, Patel, K.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TOA
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BU of 7toa by Molmil
BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1)
分子名称: 3xAcK.1 (triAcK.1), Bromodomain-containing protein 3, GLYCEROL
著者Patel, K, Low, J.K.K, Mackay, J.P.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO8
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BU of 7to8 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.1)
分子名称: 2xAcK.1 (diAcK.1), Bromodomain-containing protein 3, GLYCEROL
著者Patel, K, Low, J.K.K, Mackay, J.P.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO7
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BU of 7to7 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE)
分子名称: 1xAcK.4xE (monoAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
著者Mackay, J.P, Low, J.K.K, Patel, K.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
3MQM
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BU of 3mqm by Molmil
Crystal Structure of the Bromodomain of human ASH1L
分子名称: Probable histone-lysine N-methyltransferase ASH1L
著者Filippakopoulos, P, Picaud, S, Keates, T, Felletar, I, Vollmar, M, Chaikuad, A, Krojer, T, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-04-28
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7AXR
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BU of 7axr by Molmil
Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24
分子名称: 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Huegle, M.
登録日2020-11-10
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads.
J.Med.Chem., 64, 2021
7AMC
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BU of 7amc by Molmil
SmBRD3(2), Bromodomain 2 of the Bromodomain 3 protein from Schistosoma mansoni in complex with iBET726
分子名称: 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, GLYCEROL, ...
著者Schiedel, M, McDonough, M.A, Conway, S.J.
登録日2020-10-08
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献SBM3, Bromodomain 3 from Schistosoma mansoni in complex with iBET726
To Be Published
7AMH
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SmBRD3(2), Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM-A-33, an iBET726 analogue
分子名称: 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid, Putative bromodomain-containing protein 3, ...
著者McArdle, D, Schiedel, M, McDonough, M.A, Conway, S.J.
登録日2020-10-08
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献SBM3_2, Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM1, an iBET726 analogue
To Be Published
7B7B
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BAZ2A bromodomain in complex with triazole compound MS04
分子名称: 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G.
登録日2020-12-10
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022

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件を2024-06-12に公開中

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