Author results

4XY8
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF BRD9 IN COMPLEX WITH A 2-AMINE-9H-PURINE LIGAND
Descriptor:Bromodomain-containing protein 9, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, BROMIDE ION
Authors:Picaud, S., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4XY9
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-AMINE-9H-PURINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine
Authors:Picaud, S., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
4XYA
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-AMINE-9H-PURINE LIGAND
Descriptor:Bromodomain-containing protein 4, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, 1,2-ETHANEDIOL
Authors:Picaud, S., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2015-02-02
Release date:2015-03-11
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
6EI2
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CRYSTAL STRUCTURE OF HLA-A68 PRESENTING A C-TERMINALLY EXTENDED PEPTIDE
Descriptor:HLA class I histocompatibility antigen, A-68 alpha chain, Beta-2-microglobulin, ...
Authors:Picaud, S., Guillaume, P., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Gfeller, D., Filippakopoulos, P.
Deposit date:2017-09-16
Release date:2017-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of HLA-A68 presenting a C-terminally extended peptide
To Be Published
6I7X
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF BRD4 IN COMPLEX WITH RT53
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
Authors:Picaud, S., Traquete, R., Bernardes, G.J.L., Newman, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2018-11-19
Release date:2019-11-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with RT53
To Be Published
6I7Y
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF BRD4 IN COMPLEX WITH RT56
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
Authors:Picaud, S., Traquete, R., Bernardes, G.J.L., Newman, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2018-11-19
Release date:2019-11-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with RT56
To Be Published
6I80
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF BRD2 IN COMPLEX WITH RT53
Descriptor:Bromodomain-containing protein 2, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, 1,2-ETHANEDIOL
Authors:Picaud, S., Traquete, R., Bernardes, G.J.L., Newman, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2018-11-19
Release date:2019-11-27
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal Structure of the second bromodomain of BRD2 in complex with RT53
To Be Published
6I81
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF BRD2 IN COMPLEX WITH RT56
Descriptor:Bromodomain-containing protein 2, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 1,2-ETHANEDIOL, ...
Authors:Picaud, S., Traquete, R., Bernardes, G.J.L., Newman, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2018-11-19
Release date:2019-11-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of the second bromodomain of BRD2 in complex with RT56
To Be Published
6S25
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF BRD4 IN COMPLEX WITH A BENZODIAZEPINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
Authors:Picaud, S., Traquete, R., Bernardes, G.J.L., Tobias, K., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P., Structural Genomics Consortium (SGC)
Deposit date:2019-06-20
Release date:2019-07-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
To Be Published
4MR3
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-OH)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR4
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-208)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR5
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-OH)
Descriptor:Bromodomain-containing protein 2, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR6
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-208)
Descriptor:Bromodomain-containing protein 2, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
5IGK
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BROMOSPORINE (BSP)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, Bromosporine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., 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:2016-11-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGL
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN TAF1L IN COMPLEX WITH BROMOSPORINE (BSP)
Descriptor:Transcription initiation factor TFIID subunit 1-like, Bromosporine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Krojer, T., Tallant, C., 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:2016-11-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGM
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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:2016-11-02
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
3QWM
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CRYSTAL STRUCTURE OF GEP100, THE PLEXTRIN HOMOLOGY DOMAIN OF IQ MOTIF AND SEC7 DOMAIN-CONTAINING PROTEIN 1 ISOFORM A
Descriptor:IQ motif and SEC7 domain-containing protein 1
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Feller, S., Janning, M., Sabe, H., Krojer, T., Chaikuad, A., Allerston, C., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-02-28
Release date:2011-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
to be published
3TLP
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CRYSTAL STRUCTURE OF THE FOURTH BROMODOMAIN OF HUMAN POLY-BROMODOMAIN CONTAINING PROTEIN 1 (PB1)
Descriptor:Protein polybromo-1, NICKEL (II) ION
Authors:Filippakopoulos, P., Felletar, I., Picaud, S., Keates, T., Muniz, J., Krojer, T., Allerston, C.K., Latwiel, S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-08-30
Release date:2011-09-28
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4FR4
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CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE-PROTEIN KINASE 32A (YANK1)
Descriptor:Serine/threonine-protein kinase 32A, STAUROSPORINE, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Elkins, J.M., Krojer, T., Mahajan, P., Goubin, S., Szklarz, M., Tumber, A., Wang, J., Savitsky, P., Shrestha, B., Daga, N., Picaud, S., Fedorov, O., Allerston, C.K., Latwiel, S.V.A., Vollmar, M., Canning, P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-06-26
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4GPJ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A ISOXAZOLYLBENZIMIDAZOLE LIGAND
Descriptor:Bromodomain-containing protein 4, (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, ...
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Heightman, T.D., Brennan, P., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-08-21
Release date:2012-10-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET Bromodomains
TO BE PUBLISHED
4MEN
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEO
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-METHYL-QUINOLINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEP
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3-CHLORO-PYRIDONE LIGAND
Descriptor:Bromodomain-containing protein 4, 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEQ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4NQM
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A TRIAZOLO-PHTHALAZINE LIGAND
Descriptor:Bromodomain-containing protein 4, 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, SUCCINIC ACID
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-11-25
Release date:2013-12-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with a triazolo-phthalazine ligand
To be Published