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4TS8
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BU of 4ts8 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with XZ08
Descriptor: 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein
Authors:Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A.
Deposit date:2014-06-18
Release date:2015-07-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with XZ08
To Be Published
4Z93
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BU of 4z93 by Molmil
BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18.
Descriptor: 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2015-04-09
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5C4Q
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BU of 5c4q by Molmil
Crystal Structure Analysis of bromodomain from Leishmania donovani complexed with bromosporine
Descriptor: Bromodomain, Bromosporine, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Hou, C.F.D, Structural Genomics Consortium (SGC)
Deposit date:2015-06-18
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Crystal Structure Analysis of bromodomain from Leishmania donovani complexed with bromosporine
to be published
5C7N
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BU of 5c7n by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine
Descriptor: Bromosporine, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-06-24
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5C8G
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BU of 5c8g by Molmil
Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, PP-BRD20, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2015-06-25
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure Analysis of PP-BRD20 from Tb427tmp
to be published
5A5O
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BU of 5a5o by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one
Descriptor: 1,2-ETHANEDIOL, 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5Q
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BU of 5a5q by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one hydrochloride
Descriptor: 1,2-ETHANEDIOL, 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5N
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BU of 5a5n by Molmil
Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6- diacetamido-N-methylhexanamide
Descriptor: (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5P
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BU of 5a5p by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one
Descriptor: 1,2-ETHANEDIOL, 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5S
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BU of 5a5s by Molmil
NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-methoxypyridin-3-yl-3- methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one
Descriptor: 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5R
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BU of 5a5r by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one
Descriptor: 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5CZG
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BU of 5czg by Molmil
Crystal Structure Analysis of hypothetical bromodomain Tb427.10.7420 from Trypanosoma brucei in complex with bromosporine
Descriptor: Bromosporine, Hypothetical Bromodomain, SODIUM ION, ...
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Hou, C.F.D, Structural Genomics Consortium (SGC)
Deposit date:2015-07-31
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystal Structure Analysis of hypothetical bromodomain from Trypanosoma brucei
to be published
5A83
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BU of 5a83 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 4-((3R, 4R)-4-3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydroquinolin-8- yl-aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione
Descriptor: 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A82
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BU of 5a82 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione
Descriptor: 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A81
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BU of 5a81 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one
Descriptor: (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A85
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BU of 5a85 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one
Descriptor: (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5CQ6
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BU of 5cq6 by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2,6-Pyridinedicarboxylic acid (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PYRIDINE-2,6-DICARBOXYLIC ACID
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-21
Release date:2015-09-09
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2,6-Pyridinedicarboxylic acid (SGC - Diamond I04-1 fragment screening)
To be published
5CQA
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BU of 5cqa by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-21
Release date:2015-09-09
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (SGC - Diamond I04-1 fragment screening)
To be published
5CUC
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BU of 5cuc by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with N-Acetyl-2-phenylethylamine (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-(2-phenylethyl)acetamide
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with N-Acetyl-2-phenylethylamine (SGC - Diamond I04-1 fragment screening)
To be published
5CQ8
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BU of 5cq8 by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, P-HYDROXYACETOPHENONE
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-21
Release date:2015-09-09
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
To be published
5CQ7
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BU of 5cq7 by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with N,N-dimethylquinoxaline-6-carboxamide (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N,N-dimethylquinoxaline-6-carboxamide
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-21
Release date:2015-09-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with N,N-dimethylquinoxaline-6-carboxamide (SGC - Diamond I04-1 fragment screening)
To be published
5CU8
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BU of 5cu8 by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2-Amino-6-chlorobenzothiazole (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 6-chloro-1,3-benzothiazol-2-amine, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2-Amino-6-chlorobenzothiazole (SGC - Diamond I04-1 fragment screening)
To be published
5CUE
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BU of 5cue by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening)
To be published
5CUB
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BU of 5cub by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening)
To be published
5CUG
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BU of 5cug by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PARA ACETAMIDO BENZOIC ACID
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening)
To be published

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