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4TQN
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BU of 4tqn by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UL04
Descriptor: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein
Authors:Dong, J, Caflisch, A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
J.Med.Chem., 59, 2016
6YIM
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BU of 6yim by Molmil
Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
6YIJ
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BU of 6yij by Molmil
Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
Descriptor: (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
6YIK
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BU of 6yik by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
Descriptor: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
6YIL
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BU of 6yil by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
Descriptor: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
Authors:Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
Deposit date:2020-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
6SXX
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BU of 6sxx by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with ACA007
Descriptor: (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREBBP
Authors:Xiang, W, Bedi, R.K, Sledz, P, Caflisch, A.
Deposit date:2019-09-26
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with ACA007
To Be Published
4TS8
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BU of 4ts8 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with XZ08
Descriptor: 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein
Authors:Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A.
Deposit date:2014-06-18
Release date:2015-07-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with XZ08
To Be Published
3P1F
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BU of 3p1f by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand
Descriptor: 1,2-ETHANEDIOL, 3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand
To be Published
3P1E
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BU of 3p1e by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO)
Descriptor: CREB-binding protein, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
Authors:Filippakopoulos, P, Picaud, S, Feletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO)
To be Published
3SVH
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BU of 3svh by Molmil
Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-07-12
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
To be Published
8OG2
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BU of 8og2 by Molmil
Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, SODIUM ION, SULFATE ION, ...
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-03-17
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
To Be Published
6QST
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BU of 6qst by Molmil
Structure of CREBBP bromodomain with compound 2 bound
Descriptor: CREB-binding protein, ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Sledz, P, Caflisch, A.
Deposit date:2019-02-22
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of CREBBP bromodomain with compound 2 bound
To Be Published
8CMZ
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BU of 8cmz by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, ZINC ION, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNB
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BU of 8cnb by Molmil
Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, ZINC ION, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNA
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BU of 8cna by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CN0
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BU of 8cn0 by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
Descriptor: COENZYME A, ZINC ION, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CND
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BU of 8cnd by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
Descriptor: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
Authors:Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
6SQM
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BU of 6sqm by Molmil
Crystal structure of CREBBP bromodomain complexed with LA36
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
Authors:Bedi, R.K, Laul, E, Nevado, C, Caflisch, A.
Deposit date:2019-09-04
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of CREBBP bromodomain complexed with LA36
To Be Published
6SQE
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BU of 6sqe by Molmil
Crystal structure of CREBBP bromodomain complexed with KD341
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
Authors:Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A.
Deposit date:2019-09-03
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Crystal structure of CREBBP bromodomain complexed with KD341
To Be Published
6SQF
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BU of 6sqf by Molmil
Crystal structure of CREBBP bromodomain complexed with LB32A
Descriptor: CREB-binding protein, ~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Authors:Bedi, R.K, Laul, E, Nevado, C, Caflisch, A.
Deposit date:2019-09-03
Release date:2020-09-30
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal structure of CREBBP bromodomain complexed with LB32A
To Be Published
6SW3
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BU of 6sw3 by Molmil
Crystal structure of CREBBP bromodomain L1109W mutant
Descriptor: cDNA FLJ57039, highly similar to CREB-binding protein
Authors:Faessler, C, Bedi, R.K, Wiedmer, L, Caflisch, A.
Deposit date:2019-09-19
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of CREBBP bromodomain L1109W mutant
To Be Published
4NYW
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BU of 4nyw by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
Descriptor: (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
4NYX
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BU of 4nyx by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
Descriptor: (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
4NYV
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BU of 4nyv by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
Descriptor: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
TO BE PUBLISHED
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published

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