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6P3A
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Crystal Structure Analysis of TAF1 Bromodomain
Descriptor: 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-23
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
6P39
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Crystal Structure Analysis of TAF1 Bromodomain
Descriptor: 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-23
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.941 Å)
Cite:Crystal Structure Analysis of TAF1 Bromodomain
To Be Published
1WUG
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complex structure of PCAF bromodomain with small chemical ligand NP1
Descriptor: Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
Authors:Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M.
Deposit date:2004-12-07
Release date:2005-08-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
1WUM
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BU of 1wum by Molmil
Complex structure of PCAF bromodomain with small chemical ligand NP2
Descriptor: Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
Authors:Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M.
Deposit date:2004-12-08
Release date:2005-08-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
6P05
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BU of 6p05 by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27
Descriptor: Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
Authors:Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R.
Deposit date:2019-05-16
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
6P38
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BU of 6p38 by Molmil
Crystal Structure Analysis of TAF1 Bromodomain
Descriptor: 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide, Transcription initiation factor TFIID subunit 1
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-23
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual Inhibition of TAF1 and BET Bromodomains from the BI-2536 Kinase Inhibitor Scaffold.
Acs Med.Chem.Lett., 10, 2019
6FIC
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Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
Descriptor: 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide, Transcription initiation factor TFIID subunit 1
Authors:Mathea, S, Suh, J.L, Salah, E, Tallant, C, Siejka, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, James, L.I, Frye, S.V, Knapp, S.
Deposit date:2018-01-17
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
To Be Published
6FGV
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BU of 6fgv by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FGT
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Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
1X0J
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BU of 1x0j by Molmil
Crystal structure analysis of the N-terminal bromodomain of human Brd2
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
Authors:Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-03-23
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for acetylated histone H4 recognition by the human Brd2 bromodomain
To be Published
3DAI
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BU of 3dai by Molmil
Crystal structure of the bromodomain of the human ATAD2
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION
Authors:Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Roos, A.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-05-29
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3D7C
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BU of 3d7c by Molmil
Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2
Descriptor: General control of amino acid synthesis protein 5-like 2
Authors:Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-05-21
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3DWY
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BU of 3dwy by Molmil
Crystal Structure of the Bromodomain of Human CREBBP
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Fedorov, O, Karim, R, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-07-23
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3G0L
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BU of 3g0l by Molmil
Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Filippakopoulos, P, Keates, T, Salah, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-01-28
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B)
To be Published
1ZS5
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BU of 1zs5 by Molmil
Structure-based evaluation of selective and non-selective small molecules that block HIV-1 TAT and PCAF association
Descriptor: (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE, Histone acetyltransferase PCAF
Authors:Zeng, L, Godbole, S, Muller, M, Yan, S, Sanchez, R, Zhou, M.
Deposit date:2005-05-23
Release date:2006-05-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure-based evaluation of selective nad non-selective small molecules that block hiv-1 tat and pcaf association
TO BE PUBLISHED
6VIW
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BU of 6viw by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 18
Descriptor: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
Authors:Longenecker, K.L, Park, C.H, Qiu, W.
Deposit date:2020-01-14
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.429 Å)
Cite:Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6VIY
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BU of 6viy by Molmil
BRD2_Bromodomain2 complex with pyrrolopyridone compound 27
Descriptor: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2
Authors:Longenecker, K.L, Park, C.H, Qiu, W.
Deposit date:2020-01-14
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6VUB
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Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one)
Descriptor: (4R)-1-methyl-4-phenylpyrrolidin-2-one, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-14
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
6VUF
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BU of 6vuf by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7h (4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propylbenzenesulfonamide)
Descriptor: 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-15
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
6VIX
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BU of 6vix by Molmil
BRD4_Bromodomain2 complex with pyrrolopyridone compound 18
Descriptor: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
Authors:Longenecker, K.L, Park, C.H, Qiu, W.
Deposit date:2020-01-14
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.116 Å)
Cite:Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
4UYE
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BU of 4uye by Molmil
BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide
Descriptor: 1,2-ETHANEDIOL, N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide, PEREGRIN
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2014-08-30
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
4Y03
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BU of 4y03 by Molmil
Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, CITRIC ACID, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-02-05
Release date:2015-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
To Be Published
4UYF
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N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
Descriptor: 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Gosmini, R.
Deposit date:2014-08-31
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
4WIV
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Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
Authors:Xu, X, Blacklow, S.
Deposit date:2014-09-26
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
4XY9
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Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand
Descriptor: 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4
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:2024-05-08
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

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