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3EB0
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BU of 3eb0 by Molmil
Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804
Descriptor: 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, GLYCEROL, Putative uncharacterized protein
Authors:Wernimont, A.K, Fedorov, O, Lam, A, Ali, A, Zhao, Y, Lew, J, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2008-08-26
Release date:2008-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804
TO BE PUBLISHED
3E7V
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BU of 3e7v by Molmil
Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine, NICKEL (II) ION, ...
Authors:Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, 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:2008-08-19
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
To be Published
2OZF
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BU of 2ozf by Molmil
The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1)
Descriptor: Ezrin-radixin-moesin-binding phosphoprotein 50
Authors:Phillips, C, Papagrigoriou, E, Gileadi, C, Fedorov, O, Elkins, J, Berridge, G, Turnbull, A.P, Gileadi, O, Schoch, G, Smee, C, Bray, J, Savitsky, P, Uppenberg, J, von Delft, F, Gorrec, F, Umeano, C, Salah, E, Colebrook, S, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-26
Release date:2007-03-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1)
To be Published
2Q3H
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BU of 2q3h by Molmil
The crystal structure of RhouA in the GDP-bound state.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras homolog gene family, ...
Authors:Gileadi, C, Yang, X, Papagrigoriou, E, Elkins, J, Zhao, Y, Bray, J, Gileadi, O, Umeano, C, Ugochukwu, E, Uppenberg, J, Bunkoczi, G, von Delft, F, Pike, A.C.W, Phillips, C, Savitsky, P, Fedorov, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of RhouA in the GDP-bound state.
To be Published
2Y7J
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BU of 2y7j by Molmil
Structure of human phosphorylase kinase, gamma 2
Descriptor: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHORYLASE B KINASE GAMMA CATALYTIC CHAIN, TESTIS/LIVER ISOFORM
Authors:Muniz, J.R.C, Shrestha, A, Savitsky, P, Wang, J, Rellos, P, Fedorov, O, Burgess-Brown, N, Brenner, B, Berridge, G, Elkins, J.M, Krojer, T, Vollmar, M, Che, K.H, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2011-01-31
Release date:2011-02-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Human Phosphorylase Kinase, Gamma 2
To be Published
4O38
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BU of 4o38 by Molmil
Crystal structure of the human cyclin G associated kinase (GAK)
Descriptor: Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID
Authors:Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-01-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of the human cyclin G associated kinase (GAK)
To be Published
4Q0N
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BU of 4q0n by Molmil
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Descriptor: (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-04-02
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
3BHY
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BU of 3bhy by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand
Descriptor: (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Death-associated protein kinase 3
Authors:Filippakopoulos, P, Rellos, P, Eswaran, J, Fedorov, O, Berridge, G, Niesen, F, Bracher, F, Huber, K, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-11-29
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
J.Med.Chem., 55, 2012
3S92
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BU of 3s92 by Molmil
Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
2UZP
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BU of 2uzp by Molmil
Crystal structure of the C2 domain of human protein kinase C gamma.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ...
Authors:Pike, A.C.W, Amos, A, Johansson, C, Sobott, F, Savitsky, P, Berridge, G, Fedorov, O, Umeano, C, Gorrec, F, Bunkoczi, G, Debreczeni, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
Deposit date:2007-04-30
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of C2 Domain of Protein Kinase C Gamma
To be Published
3S91
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BU of 3s91 by Molmil
Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
2VNA
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BU of 2vna by Molmil
Structure of Human Zinc-binding Alcohol Dehydrogenase 1 (ZADH1)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2
Authors:Shafqat, N, Kavanagh, K, Pike, A.C.W, Muniz, J.R.C, Pilka, E, Roos, A.K, Picaud, S, Johansson, C, Smee, C, Fedorov, O, Kochan, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, von Delft, F, Opperman, U.
Deposit date:2008-02-01
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (Zadh1)
To be Published
2VD5
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BU of 2vd5 by Molmil
Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII
Descriptor: 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN
Authors:Pike, A.C.W, Amos, A, Elkins, J, Bullock, A, Guo, K, Fedorov, O, Bunkoczi, G, Filippakopoulos, P, Pilka, E.S, Ugochukwu, E, Umeano, C, Niesen, F, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, von Delft, F, Knapp, S.
Deposit date:2007-09-30
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Dystrophia Myotonica Protein Kinase.
Protein Sci., 18, 2009
5MYG
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BU of 5myg by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe
Descriptor: 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin
Authors:Tallant, C, Igoe, N, Bayle, E.D, Krojer, T, Nunez-Alonso, G, Kopec, J, Fitzpatrick, F, Savitsky, P, Fedorov, O, Brennan, P.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-01-26
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.
J. Med. Chem., 60, 2017
5N2L
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BU of 5n2l by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
5M9N
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BU of 5m9n by Molmil
Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
Descriptor: 1,2-ETHANEDIOL, E2F peptide, N3, ...
Authors:Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-11-01
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
5MR8
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BU of 5mr8 by Molmil
Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
Descriptor: E3 ubiquitin-protein ligase TRIM33, Histone H3, ZINC ION
Authors:Tallant, C, Savitsky, P, Fedorov, O, Nunez-Alonso, G, Siejka, P, Krojer, T, Williams, E, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
To Be Published
5M9O
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BU of 5m9o by Molmil
Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
Descriptor: E2F peptide, Staphylococcal nuclease domain-containing protein 1
Authors:Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Siejka, P, Sorrell, F.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-11-01
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human SND1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide
To Be Published
4IR4
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BU of 4ir4 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR5
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BU of 4ir5 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR3
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BU of 4ir3 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A)
Descriptor: 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ...
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4IR6
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BU of 4ir6 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-14
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
4MEN
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BU of 4men by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEQ
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BU of 4meq by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
Descriptor: 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013

223532

数据于2024-08-07公开中

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