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4TT2
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CRYSTAL STRUCTURE OF ATAD2A BROMODOMAIN COMPLEXED WITH H4(1-20)K5AC PEPTIDE
Descriptor:ATPase family AAA domain-containing protein 2, Histone H4K5Ac
Authors:Poncet-Montange, G., Zhan, Y., Bardenhagen, J., Petrocchi, A., Leo, E., Shi, X., Lee, G., Leonard, P., Geck Do, M., Cardozo, M., Palmer, W., Andersen, J., Jones, P., Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT4
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CRYSTAL STRUCTURE OF ATAD2A BROMODOMAIN COMPLEXED WITH H3(1-21)K14AC PEPTIDE
Descriptor:ATPase family AAA domain-containing protein 2, Histone H3(1-21)K4Ac, SULFATE ION, ...
Authors:Poncet-Montange, G., Zhan, Y., Bardenhagen, J., Petrocchi, A., Leo, E., Shi, X., Lee, G., Leonard, P., Geck Do, M., Cardozo, M., Palmer, W., Andersen, J., Jones, P., Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT6
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CRYSTAL STRUCTURE OF ATAD2A BROMODOMAIN DOUBLE MUTANT N1063A-Y1064A IN APO FORM
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION, CHLORIDE ION, ...
Authors:Poncet-Montange, G., Zhan, Y., Bardenhagen, J., Petrocchi, A., Leo, E., Shi, X., Lee, G., Leonard, P., Geck Do, M., Cardozo, M., Palmer, W., Andersen, J., Jones, P., Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TTE
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CRYSTAL STRUCTURE OF ATAD2A BROMODOMAIN COMPLEXED WITH METHYL 3-AMINO-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)BENZOATE
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION, CHLORIDE ION, ...
Authors:Poncet-Montange, G., Zhan, Y., Bardenhagen, J., Petrocchi, A., Leo, E., Shi, X., Lee, G., Leonard, P., Geck Do, M., Cardozo, M., Palmer, W., Andersen, J., Jones, P., Ladbury, J.
Deposit date:2014-06-20
Release date:2014-12-24
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU4
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CRYSTAL STRUCTURE OF ATAD2A BROMODOMAIN COMPLEXED WITH 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-[(PHENYLSULFONYL)AMINO]BENZOICACID
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION, GLYCEROL, ...
Authors:Poncet-Montange, G., Zhan, Y., Bardenhagen, J., Petrocchi, A., Leo, E., Shi, X., Lee, G., Leonard, P., Geck Do, M., Cardozo, M., Palmer, W., Andersen, J., Jones, P., Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU6
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CRYSTAL STRUCTURE OF APO ATAD2A BROMODOMAIN WITH N1064 ALTERNATE CONFORMATION
Descriptor:ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Poncet-Montange, G., Zhan, Y., Bardenhagen, J., Petrocchi, A., Leo, E., Shi, X., Lee, G., Leonard, P., Geck Do, M., Cardozo, M., Palmer, W., Andersen, J., Jones, P., Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
5KE0
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DISCOVERY OF 1-1H-PYRAZOLO 4,3-C PYRIDINE-6-YL UREA INHIBITORS OF EXTRACELLULAR SIGNAL REGULATED KINASE ERK FOR THE TREATMENT OF CANCERS
Descriptor:Mitogen-activated protein kinase 1, 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, SULFATE ION
Authors:Hruza, A., Lim, J.
Deposit date:2016-06-09
Release date:2016-07-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
3UFL
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DISCOVERY OF PYRROLIDINE-BASED B-SECRETASE INHIBITORS: LEAD ADVANCEMENT THROUGH CONFORMATIONAL DESIGN FOR MAINTENANCE OF LIGAND BINDING EFFICIENCY
Descriptor:Beta-secretase 1, (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone, SULFATE ION, ...
Authors:Allison, T., Munshi, S., Soisson, S.M.
Deposit date:2011-11-01
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of pyrrolidine-based beta-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency.
Bioorg.Med.Chem.Lett., 22, 2012
4YAB
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH 1-METHYL-5-(2-METHYL-1 3-THIAZOL-4-YL)-2 3-DIHYDRO-1H-INDOL-2-ONE (1)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH 2,4-DIMETHOXY-N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)BENZENE-1-SULFONAMIDE (3B)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAT
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-(1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)-4-METHOXYBENZENE-1-SULFONAMIDE (5B)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAX
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-[6-(4-METHOXYPHENOXY)-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL]BENZENESULFONAMIDE (5G)
Descriptor:Transcription intermediary factor 1-alpha, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, ZINC ION, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBM
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-{6-[3-(BENZYLOXY)PHENOXY]-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL}-3,4-DIMETHOXYBENZENE-1-SULFONAMIDE (7B)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, GLYCEROL, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-{1,3-DIMETHYL-6-[3-(2-METHYLPROPOXY)PHENOXY]-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL}-1,2-DIMETHYL-1H-IMIDAZOLE-4-SULFONAMIDE (7G)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBT
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-{1,3-DIMETHYL-2-OXO-6-[3-(OXOLAN-3-YLMETHOXY)PHENOXY]-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL}-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE (7L)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YC9
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CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-(6-{3-[4-(DIMETHYLAMINO)BUTOXY]-5-PROPOXYPHENOXY}-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)-3,4-DIMETHOXYBENZENE-1-SULFONAMIDE (8I)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, GLYCEROL, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
170383
PDB entries from 2020-10-28