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PDB: 36 件
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)
分子名称: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献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)
分子名称: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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)
分子名称: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
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)
分子名称: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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BU of 4yad by Molmil
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)
分子名称: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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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BU of 4ybs by Molmil
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)
分子名称: DIMETHYL SULFOXIDE, 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, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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)
分子名称: DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
1EZY
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HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR
分子名称: REGULATOR OF G-PROTEIN SIGNALING 4
著者Moy, F.J, Chanda, P.K, Cockett, M.I, Edris, W, Jones, P.G, Mason, K, Semus, S, Powers, R.
登録日2000-05-12
公開日2001-01-15
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha.
Biochemistry, 39, 2000
1EZT
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BU of 1ezt by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR
分子名称: REGULATOR OF G-PROTEIN SIGNALING 4
著者Moy, F.J, Chanda, P.K, Cockett, M.I, Edris, W, Jones, P.G, Mason, K, Semus, S, Powers, R.
登録日2000-05-11
公開日2001-01-15
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha.
Biochemistry, 39, 2000
6PA7
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BU of 6pa7 by Molmil
The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome.
分子名称: CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ...
著者Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A.
登録日2019-06-11
公開日2020-06-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
5AE8
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Crystal structure of mouse PI3 kinase delta in complex with GSK2269557
分子名称: 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N.
登録日2015-08-26
公開日2015-09-16
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
5AE9
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Crystal structure of mouse PI3 kinase delta in complex with GSK2292767
分子名称: N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N.
登録日2015-08-26
公開日2015-09-16
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease.
J.Med.Chem., 58, 2015
1VTR
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BU of 1vtr by Molmil
STRUCTURE OF THE DEOXYTETRANUCLEOTIDE D-PAPTPAPT AND A SEQUENCE-DEPENDENT MODEL FOR POLY(DA-DT)
分子名称: DNA (5'-D(*AP*TP*AP*T)-3')
著者Viswamitra, M.A, Shakked, Z, Jones, P.G, Sheldrick, G.M, Salisbury, S.A, Kennard, O.
登録日1988-08-18
公開日2011-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Structure of the Deoxytetranucleotide d-pApTpApT and a Sequence-Dependent Model for Poly(dA-dT)
Biopolymers, 21, 1982
5TQ7
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BU of 5tq7 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ3
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Design and Synthesis of a pan-JAK kinase inhibitor clinical candidate (PF-06263276) suitable for the treatment of inflammatory diseases of the lungs and skin
分子名称: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ6
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BU of 5tq6 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ8
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BU of 5tq8 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: Tyrosine-protein kinase JAK2, {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ5
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BU of 5tq5 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5TQ4
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Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
4TT2
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Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide
分子名称: ATPase family AAA domain-containing protein 2, Histone H4K5Ac
著者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.
登録日2014-06-19
公開日2014-12-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
著者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.
登録日2014-06-19
公開日2014-12-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION
著者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.
登録日2014-06-23
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献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
分子名称: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
著者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.
登録日2014-06-23
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
著者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.
登録日2014-06-19
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
著者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.
登録日2014-06-20
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015

 

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