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8J8W	Crystal structure of AtHPPD-Y19788 complex Descriptor: 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Lin, H.-Y, Dong, J, Yang, G.-F. Deposit date: 2023-05-02 Release date: 2024-05-08 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.601 Å) Cite: Crystal structure of AtHPPD-Y19788 complex To Be Published
8WQM	Complex structure of AtHPPD with Atovaquone Descriptor: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-10-11 Release date: 2024-03-13 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.796 Å) Cite: Complex structure of AtHPPD with Atovaquone To Be Published
6AKW	Crystal structure of RNA dioxygenase bound with an inhibitor Descriptor: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO Authors: Yang, C.-G, Huang, Y, Gan, J. Deposit date: 2018-09-04 Release date: 2019-05-29 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia. Cancer Cell, 35, 2019
8IOK	Crystal structure of AtHPPD-CLJ507 complex Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 6-[diethylcarbamoyl(methyl)amino]-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide, COBALT (II) ION Authors: Dong, J, Yang, G.-F, Lin, H.-Y. Deposit date: 2023-03-11 Release date: 2024-03-13 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.991 Å) Cite: Crystal structure of human HPPD-NTBC complex To Be Published
8J8X	Crystal structure of AtHPPD-YH20307 complex Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one, COBALT (II) ION Authors: Lin, H.-Y, Dong, J, Yang, G.-F. Deposit date: 2023-05-02 Release date: 2024-05-08 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.598 Å) Cite: Crystal structure of AtHPPD-YH20307 complex To Be Published
6G8F	Crystal structure of UTX complexed with GSK-J1 Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Esposito, C, Sledz, P, Caflisch, A. Deposit date: 2018-04-08 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.043 Å) Cite: In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model, 58, 2018
9C1Z	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2024-05-30 Release date: 2025-06-11 Last modified: 2025-08-06 Method: X-RAY DIFFRACTION (2 Å) Cite: A Tetrahydrobiopterin-Displacing Potent Neuronal Nitric Oxide Synthase Inhibitor with an Unprecedented Binding Mode. Acs Med.Chem.Lett., 16, 2025
9IYL	ChCODH2 WT Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... Authors: Kong, S.Y, Yoon, H.J, Kim, S.M, Lee, H.H. Deposit date: 2024-07-30 Release date: 2025-07-30 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Air-viable, rapid CO dehydrogenase with a selectively sealed tunnel To Be Published
9FPG	Ni,Fe-CODH : Ti(III)-reduced pH 6.0 Descriptor: Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... Authors: Basak, Y, Jeoung, J.-H, Dobbek, H. Deposit date: 2024-06-13 Release date: 2025-07-30 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Ni,Fe-CODH : Ti(III)-reduced pH 8.0 Nature Catalysis, 2025
9FPO	Ni,Fe-CODH : Eu(II)-reduced pH 6.0 + CO Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON DIOXIDE, CARBON MONOXIDE, ... Authors: Basak, Y, Jeoung, J.-H, Dobbek, H. Deposit date: 2024-06-13 Release date: 2025-07-30 Method: X-RAY DIFFRACTION (1.03 Å) Cite: Ni,Fe-CODH : Ti(III)-reduced pH 8.0 Nature Catalysis, 2025
9FPL	Ni,Fe-CODH : Eu(II)-reduced pH 8.0 + CO2 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON DIOXIDE, CARBON MONOXIDE, ... Authors: Basak, Y, Jeoung, J.-H, Dobbek, H. Deposit date: 2024-06-13 Release date: 2025-07-30 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Ni,Fe-CODH : Ti(III)-reduced pH 8.0 Nature Catalysis, 2025
9FPK	Ni,Fe-CODH : Eu(II)-reduced pH 8.0 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON DIOXIDE, CARBON MONOXIDE, ... Authors: Basak, Y, Jeoung, J.-H, Dobbek, H. Deposit date: 2024-06-13 Release date: 2025-07-30 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Ni,Fe-CODH : Ti(III)-reduced pH 8.0 Nature Catalysis, 2025
9FPN	Ni,Fe-CODH : Eu(II)-reduced pH 6.0 Descriptor: Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... Authors: Basak, Y, Jeoung, J.-H, Dobbek, H. Deposit date: 2024-06-13 Release date: 2025-07-30 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Ni,Fe-CODH : Ti(III)-reduced pH 8.0 Nature Catalysis, 2025
8WHO	Crystal structure of AtHPPD-YH20541 complex Descriptor: 3-(ethylsulfanylmethyl)-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-09-23 Release date: 2024-09-25 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.892 Å) Cite: Crystal structure of AtHPPD-YH20541 complex To Be Published
8WJZ	Crystal structure of AtHPPD-F419Y+Y13161 complex Descriptor: 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-09-26 Release date: 2024-10-02 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.606 Å) Cite: Crystal structure of AtHPPD-F419Y+Y13161 complex To Be Published
8WPD	Complex structure of AtHPPD with YH20009 Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-10-09 Release date: 2024-10-09 Method: X-RAY DIFFRACTION (1.799 Å) Cite: Complex structure of AtHPPD with YH20009 To Be Published
8WL0	Crystal structure of AtHPPD+Y19542 complex Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-09-29 Release date: 2024-10-02 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.789 Å) Cite: Crystal structure of AtHPPD-+Y19542 complex To Be Published
7X5S	Crystal structure of AtHPPD-Y14157 complex Descriptor: 2-methyl-4-(2-nitro-4-piperidin-1-yl-phenyl)carbonyl-5-phenyl-1H-pyrazol-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Lin, H.-Y, Dong, J, Yang, G.-F. Deposit date: 2022-03-05 Release date: 2022-06-01 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.706 Å) Cite: Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules Adv Agrochem, 2022
6FC7	Crystal Structure of Two-Domain Laccase mutant H165F from Streptomyces griseoflavus with high copper ions occupancy Descriptor: COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... Authors: Gabdulkhakov, A.G, Tishchenko, T.V. Deposit date: 2017-12-20 Release date: 2019-01-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993. Int J Mol Sci, 20, 2019
9ELA	LSD1-CoREST in complex with T108, long soaking Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-[3-(phenylcarbamoyl)phenyl]-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate Authors: Caroli, J, Mattevi, A. Deposit date: 2024-12-04 Release date: 2025-02-05 Last modified: 2025-08-20 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Covalent adduct Grob fragmentation underlies LSD1 demethylase-specific inhibitor mechanism of action and resistance. Nat Commun, 16, 2025
9EL7	LSD1-CoREST in complex with T105 enantiomer (1R,2S) Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S,4R)-5-[(4aS)-7,8-dimethyl-4a-[(1R)-1-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3-oxopropyl]-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) Authors: Caroli, J, Mattevi, A. Deposit date: 2024-12-04 Release date: 2025-02-05 Last modified: 2025-08-20 Method: X-RAY DIFFRACTION (2.87 Å) Cite: Covalent adduct Grob fragmentation underlies LSD1 demethylase-specific inhibitor mechanism of action and resistance. Nat Commun, 16, 2025
8X6A	Complex structure of AtHPPD with Y18992 Descriptor: 2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-11-20 Release date: 2024-11-20 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Complex structure of AtHPPD with Y18992 To Be Published
8X6C	Complex structure of AtHPPD with YH23024 Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 7-[[2,6-bis(oxidanylidene)cyclohexylidene]-oxidanyl-methyl]-1,6-dimethyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-11-21 Release date: 2024-11-27 Method: X-RAY DIFFRACTION (1.796 Å) Cite: Complex structure of AtHPPD with YH23024 To Be Published
8X68	Complex structure of AtHPPD with YH21002 Descriptor: 3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-11-20 Release date: 2024-11-20 Method: X-RAY DIFFRACTION (1.895 Å) Cite: Complex structure of AtHPPD with YH21002 To Be Published
8X42	Complex structure of AtHPPD with YH20195 Descriptor: 3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION Authors: Yang, G.-F, Lin, H.-Y, Dong, J. Deposit date: 2023-11-14 Release date: 2024-11-20 Method: X-RAY DIFFRACTION (2.097 Å) Cite: Complex structure of AtHPPD with YH20195 To Be Published

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