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PDB: 194 件

3RAW
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Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41
分子名称: 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Dual specificity protein kinase CLK3
著者Filippakopoulos, P, Fedorov, O, King, O, Debdab, M, Carreaux, F, Renault, S, Bullock, A, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Meijer, L, Bazureau, J.P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-03-28
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal Structure of human CDC-like kinase 3 isoform with a benzo-dioxol ligand
To be Published
3S95
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Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2011-05-31
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
6HT1
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Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)
分子名称: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
著者Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-10-02
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
6HT0
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Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94
分子名称: 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
著者Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-10-02
公開日2018-10-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
3ONI
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
分子名称: (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 2, ...
著者Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC)
登録日2010-08-29
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Selective inhibition of BET bromodomains.
Nature, 468, 2010
2UZP
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Crystal structure of the C2 domain of human protein kinase C gamma.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ...
著者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.
登録日2007-04-30
公開日2007-05-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of C2 Domain of Protein Kinase C Gamma
To be Published
2VNA
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BU of 2vna by Molmil
Structure of Human Zinc-binding Alcohol Dehydrogenase 1 (ZADH1)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2
著者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.
登録日2008-02-01
公開日2009-02-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (Zadh1)
To be Published
2VD5
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Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII
分子名称: 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN
著者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.
登録日2007-09-30
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Dystrophia Myotonica Protein Kinase.
Protein Sci., 18, 2009
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
分子名称: E2F peptide, Staphylococcal nuclease domain-containing protein 1
著者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)
登録日2016-11-01
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of human SND1 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
分子名称: E3 ubiquitin-protein ligase TRIM33, Histone H3, ZINC ION
著者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)
登録日2016-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K9ac histone peptide
To Be Published
3BQR
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BU of 3bqr by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an imidazo-pyridazine ligand
分子名称: 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid, Death-associated protein kinase 3, GLYCEROL, ...
著者Filippakopoulos, P, Rellos, P, Fedorov, O, Niesen, F, Pike, A.C.W, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2007-12-20
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Human Death Associated Protein Kinase 3 (DAPK3) in Complex with an Imidazo-Pyridazine Ligand.
To be Published
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
分子名称: 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin
著者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)
登録日2017-01-26
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.
J. Med. Chem., 60, 2017
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
分子名称: 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
著者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)
登録日2017-02-07
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
3CXW
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Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I
分子名称: (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
5N2L
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Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
著者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)
登録日2017-02-07
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
3CY2
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Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II
分子名称: (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
3CY3
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Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V
分子名称: (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ...
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V.
To be Published
3EB0
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BU of 3eb0 by Molmil
Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804
分子名称: 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, GLYCEROL, Putative uncharacterized protein
著者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)
登録日2008-08-26
公開日2008-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine, NICKEL (II) ION, ...
著者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)
登録日2008-08-19
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
To be Published
3F2N
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BU of 3f2n by Molmil
Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand
分子名称: (2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Yue, W.W, Murray, J.W, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-10-30
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand
To be Published
3FME
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Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
分子名称: Dual specificity mitogen-activated protein kinase kinase 6, STAUROSPORINE
著者Filippakopoulos, P, Barr, A, Pike, A.C.W, Berridge, G, Elkins, J, Fedorov, O, Keates, T, Savitsky, P, Soundararajan, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-12-21
公開日2009-01-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
To be Published
3FMD
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BU of 3fmd by Molmil
Crystal Structure of Human Haspin with an Isoquinoline ligand
分子名称: 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, NICKEL (II) ION, ...
著者Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-12-21
公開日2008-12-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Haspin with an Isoquinoline ligand
To be Published
3GGF
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Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an quinazolin
分子名称: CADMIUM ION, Serine/threonine-protein kinase MST4, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
著者Chaikuad, A, Rellos, P, Eidarus, S, Das, S, Pike, A.C.W, Sethi, R, Fedorov, O, Savitsky, P, Roos, A.K, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural comparison of human mammalian ste20-like kinases
Plos One, 5, 2010
3GP0
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BU of 3gp0 by Molmil
Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ...
著者Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-03-20
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
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
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
著者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)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013

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