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6PPA
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CRYSTAL STRUCTURE OF THE UNLIGANDED BROMODOMAIN OF HUMAN BRD7
Descriptor:Bromodomain-containing protein 7, PHOSPHATE ION, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Zhu, J., Schonbrunn, E.
Deposit date:2019-07-05
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6UZF
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CRYSTAL STRUCTURE OF THE UNLIGANDED BROMODOMAIN OF HUMAN BRD9
Descriptor:Bromodomain-containing protein 9, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-15
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V0Q
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 BOUND TO TG003
Descriptor:Bromodomain-containing protein 7, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V0S
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD9 BOUND TO TG003
Descriptor:Bromodomain-containing protein 9, (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V0U
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN (BD1) OF HUMAN BRD4 BOUND TO BROMOSPORINE
Descriptor:Bromodomain-containing protein 4, Bromosporine, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V0X
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD9 BOUND TO SUNITINIB
Descriptor:Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Authors:Karim, M.R., Chan, A., Zhu, J.Y., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V14
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD9 BOUND TO TP472
Descriptor:Bromodomain-containing protein 9, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, 1,2-ETHANEDIOL
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V16
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 BOUND TO TP472
Descriptor:Bromodomain-containing protein 7, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, 1,2-ETHANEDIOL, ...
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V17
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 BOUND TO I-BRD9
Descriptor:Bromodomain-containing protein 7, CHLORIDE ION, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-19
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1B
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD9 BOUND TO I-BRD9
Descriptor:Bromodomain-containing protein 9, 1,2-ETHANEDIOL, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Authors:Karim, M.R., Chan, A., Schonbrunn, E.
Deposit date:2019-11-20
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1E
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 BOUND TO BI7273
Descriptor:Bromodomain-containing protein 7, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-20
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1F
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 BOUND TO BI9564
Descriptor:Bromodomain-containing protein 7, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-20
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1H
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 BOUND TO BROMOSPORINE
Descriptor:Bromodomain-containing protein 7, Bromosporine, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-20
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1K
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN (BD1) OF HUMAN BRD4 BOUND TO BI7273
Descriptor:Bromodomain-containing protein 4, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-20
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1L
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN (BD1) OF HUMAN BRD4 BOUND TO BI9564
Descriptor:Bromodomain-containing protein 4, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-20
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6V1U
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN (BD1) OF HUMAN BRD4 BOUND TO TP-472
Descriptor:Bromodomain-containing protein 4, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Schonbrunn, E.
Deposit date:2019-11-21
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
6MH1
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-TRISUBSTITUTED IMIDAZOLE ANALOGUE
Descriptor:Bromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine, 1,2-ETHANEDIOL
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2018-09-17
Release date:2019-08-07
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
6MH7
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH SKT-68, A 1,4,5-TRISUBSTITUTED IMIDAZOLE ANALOGUE
Descriptor:Bromodomain-containing protein 4, N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2018-09-17
Release date:2019-08-07
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
5VBO
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH LRRK2-IN-1
Descriptor:Bromodomain-containing protein 4, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, ...
Authors:ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent Dual Brd-PLK1 inhibitors
to be published
5VBP
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH RO3280
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Dual brd-PLK1 inhibitors
to be published
5VBQ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH BI2536
Descriptor:Bromodomain testis-specific protein, 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, CHLORIDE ION, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dual Brd-PLK1 inhibitors
to be published
5VBR
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH VOLASERTIB
Descriptor:Bromodomain testis-specific protein, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, 1,2-ETHANEDIOL, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dual Brd-PLK1 INHIBITORS
to be published
5VD4
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, A MK1775 ANALOUGUE
Descriptor:Wee1-like protein kinase, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, PHOSPHATE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD5
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, A MK1775 ANALOUGUE
Descriptor:Wee1-like protein kinase, 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD7
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-098, A MK1775 ANALOGUE
Descriptor:Wee1-like protein kinase, 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published