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6BGG
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BU of 6bgg by Molmil
Solution NMR structures of the BRD3 ET domain in complex with a CHD4 peptide
Descriptor: Bromodomain-containing protein 3, CHD4
Authors:Wai, D.C.C, Szyszka, T.N, Campbell, A.E, Kwong, C, Wilkinson-White, L, Silva, A.P.G, Low, J.K.K, Kwan, A.H, Gamsjaeger, R, Lu, B, Vakoc, C.R, Blobel, G.A, Mackay, J.P.
Deposit date:2017-10-28
Release date:2018-03-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators.
J. Biol. Chem., 293, 2018
2ND0
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BU of 2nd0 by Molmil
Solution NMR structures of BRD4 ET domain with LANA peptide
Descriptor: Bromodomain-containing protein 4, LANA
Authors:Zeng, L, Zhou, M.
Deposit date:2016-04-18
Release date:2016-06-29
Last modified:2016-07-20
Method:SOLUTION NMR
Cite:Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4.
Structure, 24, 2016
2NCZ
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BU of 2ncz by Molmil
Solution NMR structures of BRD4 ET domain in complex with NSD3_1 peptide
Descriptor: Bromodomain-containing protein 4, Histone-lysine N-methyltransferase NSD3
Authors:Zeng, L, Zhou, M.
Deposit date:2016-04-18
Release date:2016-06-29
Last modified:2016-07-20
Method:SOLUTION NMR
Cite:Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4.
Structure, 24, 2016
2ND1
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BU of 2nd1 by Molmil
Solution NMR structures of BRD4 ET domain in complex with NSD3_3 peptide
Descriptor: Bromodomain-containing protein 4, Histone-lysine N-methyltransferase NSD3
Authors:Zeng, L, Zhou, M.
Deposit date:2016-04-19
Release date:2016-06-29
Last modified:2016-07-20
Method:SOLUTION NMR
Cite:Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4.
Structure, 24, 2016
5EU1
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BU of 5eu1 by Molmil
CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273
Descriptor: 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9
Authors:Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2015-11-18
Release date:2016-03-09
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5F2P
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BU of 5f2p by Molmil
Crystal structure of the BRD9 bromodomain in complex with compound 3.
Descriptor: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9
Authors:Nar, H, Fiegen, D, Zoephel, A, Bader, G.
Deposit date:2015-12-02
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5F25
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BU of 5f25 by Molmil
Crystal structure of the BRD9 bromodomain in complex with compound 4.
Descriptor: 4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide, BRD9
Authors:Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2015-12-01
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5F1H
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BU of 5f1h by Molmil
Crystal structure of the BRD9 bromodamian in complex with BI-9564.
Descriptor: 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9
Authors:Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2015-11-30
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5F1L
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BU of 5f1l by Molmil
Crystal structure of the bromodomain of BRD9 in complex with compound 9.
Descriptor: 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9
Authors:Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2015-11-30
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
6BGH
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BU of 6bgh by Molmil
Solution NMR structure of Brd3 ET domain bound to Brg1 peptide
Descriptor: Brd3_ET, Bromodomain-containing protein 3
Authors:Szyszka, T.N, Wai, D.C, Mackay, J.P.
Deposit date:2017-10-28
Release date:2018-03-21
Last modified:2021-01-20
Method:SOLUTION NMR
Cite:The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators.
J.Biol.Chem., 293, 2018
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6G24
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BU of 6g24 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 3
Descriptor: 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2C
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BU of 6g2c by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 9
Descriptor: 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G25
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BU of 6g25 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 4
Descriptor: 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2B
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BU of 6g2b by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 8
Descriptor: 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2O
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BU of 6g2o by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound BI-9321
Descriptor: Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-23
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G27
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BU of 6g27 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 5
Descriptor: 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G29
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BU of 6g29 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 6
Descriptor: 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2E
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BU of 6g2e by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 13
Descriptor: Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-23
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G3T
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BU of 6g3t by Molmil
X-ray structure of NSD3-PWWP1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-26
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019

 

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