4YC9
 
 | | 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
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3ZFM
 | | Crystal structure of EphB2 | | 分子名称: | EPHRIN TYPE-B RECEPTOR 2 | | 著者 | Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K. | | 登録日 | 2012-12-12 | | 公開日 | 2014-01-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
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3ZFX
 | | Crystal structure of EphB1 | | 分子名称: | EPHRIN TYPE-B RECEPTOR 1, SULFATE ION | | 著者 | Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K. | | 登録日 | 2012-12-12 | | 公開日 | 2014-01-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
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3ZMM
 | | Inhibitors of Jak2 Kinase domain | | 分子名称: | 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | | 登録日 | 2013-02-11 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target.
Bioorg.Med.Chem.Lett., 23, 2013
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7BN2
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7BN3
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7BN1
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4LVD
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | 登録日 | 2013-07-26 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVB
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | 登録日 | 2013-07-26 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LV9
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | 登録日 | 2013-07-26 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVF
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | 登録日 | 2013-07-26 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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5JF2
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT002 | | 分子名称: | (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide, ACETATE ION, IMIDAZOLE, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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8S4F
 | | Human carbonic anhydrase I covalently bound to AV21-08 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide, ... | | 著者 | Manakova, E.N, Grazulis, S, Paketuryte-Latve, V, Vaskevicius, A, Smirnov, A. | | 登録日 | 2024-02-21 | | 公開日 | 2024-12-18 | | 最終更新日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Targeted anticancer pre-vinylsulfone covalent inhibitors of carbonic anhydrase IX.
Elife, 13, 2024
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5JF1
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with actinonin | | 分子名称: | ACETATE ION, ACTINONIN, Peptide deformylase, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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5JEX
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae, crystallized in imidazole buffer | | 分子名称: | IMIDAZOLE, Peptide deformylase, ZINC ION | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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5JF3
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT018 | | 分子名称: | ACETATE ION, IMIDAZOLE, Peptide deformylase, ... | | 著者 | Fieulaine, S, Giglione, C, Meinnel, T. | | 登録日 | 2016-04-19 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
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5SVX
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5SVY
 | | MORC3 CW in complex with histone H3K4me1 | | 分子名称: | ACETATE ION, H3K4me1, MORC family CW-type zinc finger protein 3, ... | | 著者 | Tong, Q, Andrews, F.H, Kutateladze, T.G. | | 登録日 | 2016-08-08 | | 公開日 | 2016-10-05 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Multivalent Chromatin Engagement and Inter-domain Crosstalk Regulate MORC3 ATPase.
Cell Rep, 16, 2016
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5SVI
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7OTQ
 | | Cryo-EM structure of ALC1/CHD1L bound to a PARylated nucleosome | | 分子名称: | Chromodomain-helicase-DNA-binding protein 1-like, DNA (149-MER) Widom 601 sequence, Histone H2A type 1, ... | | 著者 | Bacic, L, Gaullier, G, Deindl, S. | | 登録日 | 2021-06-10 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | | 主引用文献 | Structure and dynamics of the chromatin remodeler ALC1 bound to a PARylated nucleosome
Elife, 10, 2021
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2XA4
 | | Inhibitors of Jak2 Kinase domain | | 分子名称: | 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | | 登録日 | 2010-03-26 | | 公開日 | 2010-12-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
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6EUC
 | | Reactivating oxime bound to Tc AChE's catalytic gorge. | | 分子名称: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | 登録日 | 2017-10-30 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.21998858 Å) | | 主引用文献 | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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6UZC
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6EWK
 | | T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | | 分子名称: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | 登録日 | 2017-11-04 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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4YAT
 | | 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
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