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5RKD
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BU of 5rkd by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2168282707
分子名称: (6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.237 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKX
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BU of 5rkx by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1324080698
分子名称: 3-fluoro-5-methylbenzene-1-sulfonamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKC
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BU of 5rkc by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z234898257
分子名称: N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5S8K
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BU of 5s8k by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01225c (space group C2)
分子名称: 3,4-dimethyl-1,2-oxazol-5-amine, 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2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献XChem group deposition
To Be Published
5S8E
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BU of 5s8e by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00531b (space group C2)
分子名称: 2,3-dihydro-1,4-benzodioxine-5-carboxamide, 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2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献XChem group deposition
To Be Published
5S8Y
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BU of 5s8y by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
分子名称: N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
登録日2021-01-22
公開日2021-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
4J3I
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BU of 4j3i by Molmil
X-ray crystal structure of bromodomain complex to 1.24 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ...
著者Stein, A.J, White, A, Suto, R.K.
登録日2013-02-05
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
7WX2
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BU of 7wx2 by Molmil
CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
5RJI
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BU of 5rji by Molmil
PanDDA analysis group deposition of ground-state model of PHIP
分子名称: PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKS
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BU of 5rks by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1696844792
分子名称: 1-(diphenylmethyl)azetidin-3-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK0
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BU of 5rk0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z30932204
分子名称: N-[(4-sulfamoylphenyl)methyl]acetamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK6
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BU of 5rk6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194394
分子名称: 4-(4-fluorophenyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKT
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BU of 5rkt by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1266933824
分子名称: (1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.241 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RJP
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BU of 5rjp by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024672
分子名称: 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.242 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKW
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BU of 5rkw by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z27678561
分子名称: N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.242 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK5
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BU of 5rk5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57478994
分子名称: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.243 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5R4G
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BU of 5r4g by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000621a
分子名称: 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5S8C
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BU of 5s8c by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (space group C2)
分子名称: (1-methylbenzotriazol-5-yl)methanol, 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2020-12-17
公開日2021-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献XChem group deposition
To Be Published
7RJP
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BU of 7rjp by Molmil
Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Fedorov, E, Islam, K, Ghosh, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
5S8Z
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BU of 5s8z by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
分子名称: N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
登録日2021-01-22
公開日2021-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
4IOO
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BU of 4ioo by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with N-methyltrimethylacetamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Lolli, G, Battistutta, R.
登録日2013-01-08
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Different orientations of low-molecular-weight fragments in the binding pocket of a BRD4 bromodomain.
Acta Crystallogr.,Sect.D, 69, 2013
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
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
7B82
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BU of 7b82 by Molmil
BAZ2A bromodomain in complex with triazole compound MS04-TN03
分子名称: (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
著者Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G.
登録日2020-12-12
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
5OWK
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BU of 5owk by Molmil
Crystal structure of CREBBP bromodomain complexed with DSPB2A002
分子名称: CREB-binding protein, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-09-01
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018

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件を2024-05-15に公開中

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