7FOS
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08D01 from the F2X-Universal Library | Descriptor: | (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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7FNM
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07D05 from the F2X-Universal Library | Descriptor: | 5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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7FOU
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E01 from the F2X-Universal Library | Descriptor: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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7FNZ
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07F12 from the F2X-Universal Library | Descriptor: | 2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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6ETE
| Crystal structure of KDM4D with tetrazolhydrazide compound 5 | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, NICKEL (II) ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2017-10-26 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.468 Å) | Cite: | Crystal structure of KDM4D with tetrazolylhydrazide ligand NR128 To be published
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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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6F5R
| Crystal Structure of KDM4D with GF028 ligand | Descriptor: | 1,2-ETHANEDIOL, 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.607 Å) | Cite: | Crystal Structure of KDM4D with GF028 ligand To be published
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6F5S
| Crystal Structure of KDM4D with tetrazole ligand GF049 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of KDM4D with tetrazole ligand GF049 To be published
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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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6F5Q
| Crystal Structure of KDM4D with GF026 ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal Structure of KDM4D with GF026 ligand To be published
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6F5T
| Crystal Structure of KDM4D with tetrazole ligand GF057 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-12-02 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of KDM4D with tetrazole ligand To be published
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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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6GKO
| Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Thymidylate synthase fragment screening To Be Published
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6H10
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 To be published
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6G9C
| Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1 | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. J Immunol Res, 2021, 2021
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6G5W
| Crystal Structure of KDM4A with compound YP-03-038 | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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6G9E
| Crystal structure of immunomodulatory active chitinase from Trichuris suis - TsES1 - 6 molecules in ASU | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. J Immunol Res, 2021, 2021
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6H0Y
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022 | Descriptor: | (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.212 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022 To be published
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6G5X
| Crystal Structure of KDM4A with compound YP-02-145 | Descriptor: | 1,2-ETHANEDIOL, 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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6GYJ
| Mouse thymidylate synthase crystal soaked in phenolphthalein | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | Deposit date: | 2018-06-30 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thymidylate synthase fragment screening To be published
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6H0Z
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 To be published
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7FOW
| PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08E04 from the F2X-Universal Library | Descriptor: | A1 cistron-splicing factor AAR2, N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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