6SB8
| Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | Descriptor: | (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 | Authors: | Huegle, M. | Deposit date: | 2019-07-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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6SAJ
| Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | Descriptor: | (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 | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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6GX3
| Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1 | Descriptor: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-26 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-27 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-27 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | 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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7VWX
| CryoEM structure of football-shaped GroEL:ES2 with RuBisCO | Descriptor: | Chaperonin GroEL, Co-chaperonin GroES, Ribulose bisphosphate carboxylase | Authors: | Kim, H, Roh, S.H. | Deposit date: | 2021-11-12 | Release date: | 2022-01-12 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | 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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5AFW
| Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | Authors: | 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. | Deposit date: | 2015-01-26 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation. Nat.Struct.Mol.Biol., 23, 2016
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6FU1
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | 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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6TLD
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Romier, C. | Deposit date: | 2019-12-02 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors. Chemmedchem, 15, 2020
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6ETS
| Crystal structure of KDM4D with tetrazolhydrazide compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.333 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.257 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-27 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-26 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.279 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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6GJK
| A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase | Descriptor: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J. | Deposit date: | 2018-05-16 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine. Biochim Biophys Acta Gen Subj, 1863, 2019
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6H1E
| Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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4BZ7
| Crystal structure of Schistosoma mansoni HDAC8 complexed with M344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ... | Authors: | Marek, M, Romier, C. | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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4BZ5
| Crystal structure of Schistosoma mansoni HDAC8 | Descriptor: | HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ... | Authors: | Marek, M, Romier, C. | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | 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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4BZ8
| Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038 | Descriptor: | (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ... | Authors: | Marek, M, Romier, C. | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 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
| Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ... | Authors: | Marek, M, Romier, C. | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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4BZ9
| Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075 | Descriptor: | 3-chlorobenzothiophene-2-carbohydroxamic acid, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Marek, M, Romier, C. | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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6PZR
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6PZS
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005 | Descriptor: | 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-08-01 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6. J.Med.Chem., 63, 2020
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6Q0Z
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