6SA3
 
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) | | 分子名称: | Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-07-16 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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6SB8
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-07-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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5FUE
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6SAJ
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-07-16 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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5AFW
 | | Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | | 著者 | Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R. | | 登録日 | 2015-01-26 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation.
Nat.Struct.Mol.Biol., 23, 2016
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7VWX
 | | CryoEM structure of football-shaped GroEL:ES2 with RuBisCO | | 分子名称: | Chaperonin GroEL, Co-chaperonin GroES, Ribulose bisphosphate carboxylase | | 著者 | Kim, H, Roh, S.H. | | 登録日 | 2021-11-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (7.6 Å) | | 主引用文献 | Cryo-EM structures of GroEL:ES 2 with RuBisCO visualize molecular contacts of encapsulated substrates in a double-cage chaperonin.
Iscience, 25, 2022
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6GX3
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1 | | 分子名称: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-26 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6GXA
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | | 分子名称: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6GXW
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | 分子名称: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | 分子名称: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6TLD
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Romier, C. | | 登録日 | 2019-12-02 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors.
Chemmedchem, 15, 2020
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6PZS
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005 | | 分子名称: | 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2019-08-01 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
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6PZR
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6Q0Z
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6PZO
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6PZU
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6FU1
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate | | 分子名称: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | 著者 | Marek, M, Shaik, T.B, Romier, C. | | 登録日 | 2018-02-26 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.548 Å) | | 主引用文献 | A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing.
Molecules, 23, 2018
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6ETS
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.333 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETT
 | | Crystal structure of KDM4D with tetrazole compound 4 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.257 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETV
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 2 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETU
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 7 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETW
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 3 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-27 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6ETG
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 6 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | 登録日 | 2017-10-26 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.279 Å) | | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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4BZ7
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ... | | 著者 | Marek, M, Romier, C. | | 登録日 | 2013-07-24 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
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4BZ6
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