5JWB
 
 | | Structure of NDH2 from plasmodium falciparum in complex with NADH | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Yu, Y, Li, X.L. | | Deposit date: | 2016-05-12 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
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5LAS
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9EL8
 | | LSD1-CoREST in complex with T105 1S2R enantiomer | | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2024-12-04 | | Release date: | 2025-02-05 | | Last modified: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Covalent adduct Grob fragmentation underlies LSD1 demethylase-specific inhibitor mechanism of action and resistance.
Nat Commun, 16, 2025
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8X5C
 | | Complex structure of AtHPPD with YH20540 | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2023-11-16 | | Release date: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.788 Å) | | Cite: | Complex structure of AtHPPD with YH20540
To Be Published
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8X69
 | | Complex structure of AtHPPD with YH23010 | | Descriptor: | 4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-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 (1.796 Å) | | Cite: | Complex structure of AtHPPD with YH23010
To Be Published
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6C6R
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8XQV
 | | Crystal structure of AtHPPD-YH23025 complex | | Descriptor: | 4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2024-01-05 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Crystal structure of AtHPPD-YH23025 complex
To Be Published
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6BVA
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5L9B
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5YWG
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione | | Descriptor: | 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.Y, Yang, W.C. | | Deposit date: | 2017-11-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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5I0U
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9IYT
 | | ChCODH2 A559W_V610H mutant in 8hour air exposure condition | | 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: | 2024-07-31 | | Release date: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Air-viable, rapid CO dehydrogenase with a selectively sealed tunnel
To Be Published
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6CXH
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9J2L
 | | 4,5-DOPA-extradiol-dioxygenase from Mirabilis jalapa | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,5-DOPA dioxygenase extradiol, CITRIC ACID, ... | | Authors: | Chou, Y.C, Hsu, C.H. | | Deposit date: | 2024-08-07 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-guided design of the dopamine biocatalyst from DOPA dioxygenase
To Be Published
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6RHQ
 | | Crystal Structure of Two-Domain Laccase mutant I170A from Streptomyces griseoflavus | | Descriptor: | COPPER (II) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | | Deposit date: | 2019-04-22 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
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9JHU
 | | Complex structure of AtHPPD with inhibitor CLJ788 | | Descriptor: | 2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Ying, R.-N, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2024-09-10 | | Release date: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Complex structure of AtHPPD with inhibitor CLJ788
To Be Published
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9FPH
 | | Ni,Fe-CODH : Ti(III)-reduced pH 8.0 + CO2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON DIOXIDE, Carbon monoxide dehydrogenase 2, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2024-06-13 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Ni,Fe-CODH : Ti(III)-reduced pH 8.0
Nature Catalysis, 2025
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9FPF
 | | Ni,Fe-CODH : Ti(III)-reduced pH 8.0 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbon monoxide dehydrogenase 2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Basak, Y, Jeoung, J.-H, Dobbek, H. | | Deposit date: | 2024-06-13 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Ni,Fe-CODH : Ti(III)-reduced pH 8.0
Nature Catalysis, 2025
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6ELQ
 | | Carbon Monoxide Dehydrogenase IV from Carboxydothermus hydrogenoformans | | Descriptor: | Carbon Monoxide Dehydrogenase, FE(4)-NI(1)-S(5) CLUSTER with Oxygen, IRON/SULFUR CLUSTER | | Authors: | Domnik, L, Goetzl, S, Jeoung, J.H, Dobbek, H. | | Deposit date: | 2017-09-29 | | Release date: | 2018-01-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2.
Angew. Chem. Int. Ed. Engl., 56, 2017
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7X5X
 | | Crystal structure of AtHPPD-YH20533 complex | | Descriptor: | 2-methylsulfonyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-4-(trifluoromethyl)benzamide, 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: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
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5KLI
 | | Rhodobacter sphaeroides bc1 with stigmatellin and antimycin | | Descriptor: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, Cytochrome b, ... | | Authors: | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | | Deposit date: | 2016-06-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.996 Å) | | Cite: | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III.
J.Biol.Chem., 291, 2016
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6B6Y
 | | Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, dithionite-reduced then oxygen-exposed (protein batch 2), oxidized C-cluster | | Descriptor: | Carbon monoxide dehydrogenase, FE2/S2 (INORGANIC) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ... | | Authors: | Wittenborn, E.C, Drennan, C.L. | | Deposit date: | 2017-10-03 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | Descriptor: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | Deposit date: | 2019-01-13 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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7CQS
 | | Complex structure of HPPD with Topramezone | | Descriptor: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.Y, Yang, G.F. | | Deposit date: | 2020-08-11 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
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6C16
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