6I8Y
 
 | | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2018-11-21 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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6I8B
 | | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | | 分子名称: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | | 著者 | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | 登録日 | 2018-11-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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2L3R
 | | NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide | | 分子名称: | E3 ubiquitin-protein ligase UHRF1, Histone H3 | | 著者 | Nady, N, Lemak, A, Fares, C, Gutmanas, A, Avvakumov, G, Xue, S, Arrowsmith, C, Structural Genomics Consortium (SGC) | | 登録日 | 2010-09-21 | | 公開日 | 2011-04-13 | | 最終更新日 | 2020-02-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Recognition of Multivalent Histone States Associated with Heterochromatin by UHRF1 Protein.
J.Biol.Chem., 286, 2011
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3V6E
 | | Crystal Structure of USP2 and a mutant form of Ubiquitin | | 分子名称: | CHLORIDE ION, GLYCEROL, Ubiquitin, ... | | 著者 | Neculai, M, Ernst, A, Sidhu, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2011-12-19 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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3SMR
 | | Crystal structure of human WD repeat domain 5 with compound | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | 著者 | Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-06-28 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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8PUY
 | | TEAD2 with a covalent inhibitor | | 分子名称: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | | 著者 | Guichou, J.F, Gelin, M, Allemand, F. | | 登録日 | 2023-07-17 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
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8PUX
 | | TEAD2 with a covalent inhibitor | | 分子名称: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | | 著者 | Guichou, J.F, Gelin, M, Allemand, F. | | 登録日 | 2023-07-17 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
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8PON
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
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8POM
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
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8POJ
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
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3EOE
 | | Crystal Structure of Pyruvate Kinase from toxoplasma gondii, 55.m00007 | | 分子名称: | GLYCEROL, Pyruvate kinase | | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Wasney, G, Hassani, A, Vedadi, M, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Structural Genomics Consortium (SGC) | | 登録日 | 2008-09-26 | | 公開日 | 2008-10-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | The crystal structure of Toxoplasma gondii pyruvate kinase 1.
Plos One, 5, 2010
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2O8J
 | | Human euchromatic histone methyltransferase 2 | | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2006-12-12 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
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3IGO
 | | Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920 | | 分子名称: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Amani, M, Allali-Hassanali, A, Vedadi, M, Tempel, W, MacKenzie, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-07-28 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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3C10
 | | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA) | | 分子名称: | Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ... | | 著者 | Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2008-01-21 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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3HX4
 | | Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium | | 分子名称: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, MacKenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-06-19 | | 公開日 | 2009-07-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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3DB3
 | | Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 in complex with trimethylated histone H3-K9 peptide | | 分子名称: | E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide | | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-05-30 | | 公開日 | 2008-09-16 | | 最終更新日 | 2012-04-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
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3C0Z
 | | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA | | 分子名称: | Histone deacetylase 7a, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ... | | 著者 | Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2008-01-21 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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3DB4
 | | Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 | | 分子名称: | E3 ubiquitin-protein ligase UHRF1, SULFATE ION | | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2008-05-30 | | 公開日 | 2008-09-16 | | 最終更新日 | 2012-04-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
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3KU2
 | | Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440 | | 分子名称: | Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION | | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-11-26 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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6G25
 | | X-ray structure of NSD3-PWWP1 in complex with compound 4 | | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G2B
 | | X-ray structure of NSD3-PWWP1 in complex with compound 8 | | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G2O
 | | X-ray structure of NSD3-PWWP1 in complex with compound BI-9321 | | 分子名称: | Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G24
 | | X-ray structure of NSD3-PWWP1 in complex with compound 3 | | 分子名称: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G2C
 | | X-ray structure of NSD3-PWWP1 in complex with compound 9 | | 分子名称: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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6G27
 | | X-ray structure of NSD3-PWWP1 in complex with compound 5 | | 分子名称: | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2018-03-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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