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5FH7
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BU of 5fh7 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FH8
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BU of 5fh8 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ...
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FH6
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BU of 5fh6 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Descriptor: (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
8R5K
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BU of 8r5k by Molmil
The Fk1 domain of FKBP51 in complex with Antascomicine B
Descriptor: Antascomicine B, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, M.A, Bracher, A, Hausch, F.
Deposit date:2023-11-16
Release date:2024-05-08
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Antascomicin B stabilizes FKBP51-Akt1 complexes as a molecular glue.
Bioorg.Med.Chem.Lett., 104, 2024
3M1O
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BU of 3m1o by Molmil
Human Transthyretin (TTR) complexed with 2-((3,5-dichloro-4-hydroxyphenyl)amino)benzoic acid
Descriptor: 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid, Transthyretin
Authors:Kolstoe, S.E, Wood, S.P.
Deposit date:2010-03-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Trapping of palindromic ligands within native transthyretin prevents amyloid formation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2RIV
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BU of 2riv by Molmil
Crystal structure of the reactive loop cleaved human Thyroxine Binding Globulin
Descriptor: GLYCEROL, SULFATE ION, Thyroxine-binding globulin
Authors:Zhou, A, Wei, Z, Stanley, P.L.D, Read, R.J, Stein, P.E, Carrell, R.W.
Deposit date:2007-10-12
Release date:2008-10-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Allosteric modulation of hormone release from thyroxine and corticosteroid-binding globulins
J.Biol.Chem., 286, 2011
2RIW
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BU of 2riw by Molmil
The Reactive loop cleaved human Thyroxine Binding Globulin complexed with thyroxine
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, Thyroxine-binding globulin
Authors:Zhou, A, Wei, Z, Stanley, P.L.D, Read, R.J, Stein, P.E, Carrell, R.W.
Deposit date:2007-10-12
Release date:2008-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Allosteric modulation of hormone release from thyroxine and corticosteroid-binding globulins
J.Biol.Chem., 286, 2011
5IGM
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BU of 5igm by Molmil
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:2024-01-10
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
5IGL
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BU of 5igl by Molmil
Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP)
Descriptor: Bromosporine, Transcription initiation factor TFIID subunit 1-like
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:2024-01-10
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
5IGK
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BU of 5igk by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, 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:2024-01-10
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
2XN3
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BU of 2xn3 by Molmil
Crystal structure of thyroxine-binding globulin complexed with mefenamic acid
Descriptor: 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, THYROXINE-BINDING GLOBULIN
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
2XN7
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BU of 2xn7 by Molmil
Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein (T405-CF)
Descriptor: 1,2-ETHANEDIOL, 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID, 3,5,3',5'-TETRAIODO-L-THYRONINE, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
2XN6
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BU of 2xn6 by Molmil
Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein
Descriptor: 1,2-ETHANEDIOL, 3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID, 3,5,3',5'-TETRAIODO-L-THYRONINE, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
2XN5
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BU of 2xn5 by Molmil
Crystal structure of thyroxine-binding globulin complexed with Furosemide
Descriptor: 1,2-ETHANEDIOL, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, CALCIUM ION, ...
Authors:Qi, X, Yan, Y, Wei, Z, Zhou, A.
Deposit date:2010-07-30
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
3IPB
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BU of 3ipb by Molmil
Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (11 carbon linker).
Descriptor: 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin
Authors:Kolstoe, S.E, Wood, S.P, Pepys, M.B.
Deposit date:2009-08-17
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trapping of palindromic ligands within native transthyretin prevents amyloid formation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IPE
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BU of 3ipe by Molmil
Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (7 carbon linker).
Descriptor: 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin
Authors:Kolstoe, S.E, Wood, S.P, Pepys, M.B.
Deposit date:2009-08-17
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Trapping of palindromic ligands within native transthyretin prevents amyloid formation.
Proc.Natl.Acad.Sci.USA, 107, 2010

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