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4QY4
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BU of 4qy4 by Molmil
Crystal structure of the bromodomain of human SMARCA2
Descriptor: SMARCA2 protein, ZINC ION
Authors:Tallant, C, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-23
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of the bromodomain of human SMARCA2
To be Published
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
Descriptor: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
Authors:Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
4LC2
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BU of 4lc2 by Molmil
Crystal structure of the bromodomain of human BRPF1B
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Peregrin
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-06-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
5M9N
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BU of 5m9n by Molmil
Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
Descriptor: 1,2-ETHANEDIOL, E2F peptide, N3, ...
Authors:Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-11-01
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
5M9O
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BU of 5m9o by Molmil
Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
Descriptor: E2F peptide, Staphylococcal nuclease domain-containing protein 1
Authors:Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Siejka, P, Sorrell, F.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-11-01
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
5MR8
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BU of 5mr8 by Molmil
Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
Descriptor: E3 ubiquitin-protein ligase TRIM33, Histone H3, ZINC ION
Authors:Tallant, C, Savitsky, P, Fedorov, O, Nunez-Alonso, G, Siejka, P, Krojer, T, Williams, E, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
To Be Published
4PTB
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BU of 4ptb by Molmil
Crystal structure of human SP100 PHD-Bromodomain in the free state
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Newman, J, Krojer, T, Szykowska, A, Burgess-Brown, N, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2014-03-10
Release date:2014-04-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human SP100 PHD-Bromodomain in the free state
To be Published
5BT4
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BU of 5bt4 by Molmil
Crystal structure of BRD4 first bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 4
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of BRD4 first bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BT5
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BU of 5bt5 by Molmil
Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 2
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of BRD2 second bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BT3
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BU of 5bt3 by Molmil
Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5DKD
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BU of 5dkd by Molmil
Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe
Descriptor: (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ...
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
Deposit date:2015-09-03
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe
To Be Published
5DKC
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BU of 5dkc by Molmil
Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe
Descriptor: (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, Probable global transcription activator SNF2L2, ZINC ION
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
Deposit date:2015-09-03
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe
To Be Published
5E9V
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BU of 5e9v by Molmil
Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
Descriptor: 1,2-ETHANEDIOL, 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone, Bromodomain-containing protein 9
Authors:Tallant, C, Hay, D.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Schofield, C.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
Deposit date:2015-10-15
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
To Be Published
5FFV
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BU of 5ffv by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone peptide
Descriptor: 1,2-ETHANEDIOL, Histone H3, Peregrin
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2015-12-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone peptide
To Be Published
5FG6
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BU of 5fg6 by Molmil
Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Bromodomain-containing protein 1, ...
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
Deposit date:2015-12-20
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
To Be Published
5FFY
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BU of 5ffy by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand
Descriptor: 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin
Authors:Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2015-12-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand
To Be Published
5FG4
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BU of 5fg4 by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe
Descriptor: 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Peregrin
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S.
Deposit date:2015-12-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with OF-1 chemical probe
To Be Published
5FFW
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BU of 5ffw by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with H4K5acK8ac histone peptide
Descriptor: Histone H4, Peregrin
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2015-12-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with H4K5acK8ac histone peptide
To Be Published
5FG5
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BU of 5fg5 by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe
Descriptor: NITRATE ION, Peregrin, ~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
Authors:Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Knapp, S.
Deposit date:2015-12-20
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe
To Be Published
6G5P
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BU of 6g5p by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
Descriptor: (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2018-03-29
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
6G5N
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BU of 6g5n by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
Descriptor: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2018-03-29
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
5IGM
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BU of 5igm by Molmil
Crystal structure of the bromodomain of human BRD9 in complex with bromosporine (BSP)
Descriptor: Bromodomain-containing protein 9, Bromosporine
Authors:Tallant, C, Filippakopoulos, P, Picaud, S, Nunez-Alonso, G, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5T4U
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BU of 5t4u by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin
Authors:Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
5T4V
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BU of 5t4v by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand
Descriptor: 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ...
Authors:Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
4Z6I
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BU of 4z6i by Molmil
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
Descriptor: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
Authors:Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
Deposit date:2015-04-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015

 

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