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8D3K
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BU of 8d3k by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
7S6Q
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BU of 7s6q by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL2
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2021-09-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
7S7H
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BU of 7s7h by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL2
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Methane monooxygenase beta chain, ...
Authors:Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2021-09-16
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
7S6R
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BU of 7s6r by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2021-09-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
6NPA
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BU of 6npa by Molmil
X-ray crystal structure of TmpB, (R)-1-hydroxy-2-trimethylaminoethylphosphonate oxygenase, with (R)-1-hydroxy-2-trimethylaminoethylphosphonate
Descriptor: (2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium, FE (II) ION, FE (III) ION, ...
Authors:Rajakovich, L.J, Mitchell, A.J, Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
4WQD
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BU of 4wqd by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208G mutant
Descriptor: 1,2-ETHANEDIOL, GUANIDINE, HEME C, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQA
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BU of 4wqa by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization
Descriptor: 1,2-ETHANEDIOL, HEME C, IODIDE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQ9
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BU of 4wq9 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak
Descriptor: 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
4WQC
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BU of 4wqc by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208N mutant
Descriptor: 1,2-ETHANEDIOL, HEME C, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
8QNC
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BU of 8qnc by Molmil
Crystal structure of ancestral L-galactono-1,4-lactone dehydrogenase: A113G variant
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Boverio, A, Mattevi, A.
Deposit date:2023-09-26
Release date:2024-05-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure, mechanism, and evolution of the last step in vitamin C biosynthesis.
Nat Commun, 15, 2024
6NHH
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BU of 6nhh by Molmil
Rhodobacter sphaeroides bc1 with azoxystrobin
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Cytochrome b, Cytochrome c1, ...
Authors:Xia, D, Zhou, F, Yu, C.A.
Deposit date:2018-12-21
Release date:2019-06-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
J.Biol.Chem., 294, 2019
4WWJ
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BU of 4wwj by Molmil
UndA, an oxygen-activating, non-heme iron dependent desaturase/decarboxylase
Descriptor: FE (III) ION, GLYCEROL, SULFATE ION, ...
Authors:Li, X, Cate, J.D.H.
Deposit date:2014-11-11
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase.
Proc.Natl.Acad.Sci.USA, 111, 2014
7ROM
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BU of 7rom by Molmil
Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase 1, ...
Authors:Fenwick, M.K, Zhang, Y, Lin, H.
Deposit date:2021-07-31
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD
To Be Published
8VLB
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BU of 8vlb by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue
Descriptor: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
Authors:Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
Deposit date:2024-01-11
Release date:2024-03-13
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A small-molecule VHL molecular glue degrader for cysteine dioxygenase 1.
Nat.Chem.Biol., 2025
6Q9C
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BU of 6q9c by Molmil
Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
Deposit date:2018-12-17
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9G
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BU of 6q9g by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6Q9J
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BU of 6q9j by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6YAO
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BU of 6yao by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
Descriptor: 1,2-ETHANEDIOL, 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea, Cytokinin dehydrogenase 4, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2020-03-12
Release date:2020-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
6YAP
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BU of 6yap by Molmil
Crystal structure of ZmCKO4a in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
Descriptor: 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 4, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2020-03-12
Release date:2020-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
7AL4
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BU of 7al4 by Molmil
Ancestral Flavin-containing monooxygenase (FMO) 1 (mammalian)
Descriptor: Ancestral Flavin-containing monooxygenase 1 (mammalian), CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Nicoll, C.R, Mattevi, A.
Deposit date:2020-10-05
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties.
J.Biol.Chem., 296, 2020
6Q9K
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BU of 6q9k by Molmil
Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
8F8Z
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BU of 8f8z by Molmil
PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8EUH
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BU of 8euh by Molmil
cytochrome P450terp (cyp108A1) bound to alpha-terpineol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gable, J.A, Follmer, A.H, Poulos, T.L.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
8EUK
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BU of 8euk by Molmil
cytochrome P450terp (cyp108A1) bound to ethylene glycol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gable, J.A, Follmer, A.H, Poulos, T.L.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
8EUL
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BU of 8eul by Molmil
cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gable, J.A, Follmer, A.H, Poulos, T.L.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023

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