8CFE
 
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment B03 | | Descriptor: | 2-[(1R)-1-aminopropyl]phenol, ADENINE, Adenosylhomocysteinase, ... | | Authors: | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry B03
To be published
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8CFC
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment A01 | | Descriptor: | ADENINE, Adenosylhomocysteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry A01
To be published
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8CFQ
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment F11 | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENINE, Adenosylhomocysteinase, ... | | Authors: | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry F11
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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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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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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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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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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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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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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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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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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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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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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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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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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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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6ZQ8
 | | Crystal structure of Chaetomium thermophilum Glycerol Kinase in P3221 space group | | Descriptor: | Glycerol kinase-like protein | | Authors: | Wilk, P, Wator, E, Malecki, P, Tokarz, P, Grudnik, P. | | Deposit date: | 2020-07-09 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
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6ZQ5
 | | Crystal structure of Chaetomium thermophilum Glycerol Kinase in P2221 space group | | Descriptor: | 1,2-ETHANEDIOL, Glycerol kinase-like protein | | Authors: | Wilk, P, Wator, E, Malecki, P, Grudnik, P. | | Deposit date: | 2020-07-09 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
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8AJW
 | | Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations | | Descriptor: | ADENOSINE, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations
To Be Published
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8AJV
 | | Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa crystallized in the presence of K+ cations | | Descriptor: | Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa crystallized in the presence of K+ cations
To Be Published
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