4HVQ
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![BU of 4hvq by Molmil](/molmil-images/mine/4hvq) | X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Liu, F, Chen, L, Liu, A. | Deposit date: | 2012-11-06 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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4HSJ
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![BU of 4hsj by Molmil](/molmil-images/mine/4hsj) | 1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID | Authors: | Liu, F, Chen, L, Davis, C.I, Liu, A. | Deposit date: | 2012-10-30 | Release date: | 2015-05-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.883 Å) | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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6VI8
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![BU of 6vi8 by Molmil](/molmil-images/mine/6vi8) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VIA
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![BU of 6via by Molmil](/molmil-images/mine/6via) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound structure | Descriptor: | (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI6
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![BU of 6vi6 by Molmil](/molmil-images/mine/6vi6) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate monodentately bound structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI7
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![BU of 6vi7 by Molmil](/molmil-images/mine/6vi7) | Probing extradiol dioxygenase mechanism in NAD(+) biosynthesis by viewing reaction cycle intermediates - a substrate bidentately bound structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.617 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VIB
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![BU of 6vib by Molmil](/molmil-images/mine/6vib) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - enol tautomers of ACMS bidentately bound structure | Descriptor: | (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI5
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![BU of 6vi5 by Molmil](/molmil-images/mine/6vi5) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a resting state structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VI9
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![BU of 6vi9 by Molmil](/molmil-images/mine/6vi9) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound structure | Descriptor: | (5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6X11
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![BU of 6x11 by Molmil](/molmil-images/mine/6x11) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an enol tautomer of ACMS monodentately bound structure | Descriptor: | (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-05-17 | Release date: | 2020-07-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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8TDQ
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![BU of 8tdq by Molmil](/molmil-images/mine/8tdq) | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
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8TDP
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![BU of 8tdp by Molmil](/molmil-images/mine/8tdp) | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
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4L2N
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![BU of 4l2n by Molmil](/molmil-images/mine/4l2n) | Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... | Authors: | Liu, F, Liu, A. | Deposit date: | 2013-06-04 | Release date: | 2015-05-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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5KLL
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![BU of 5kll by Molmil](/molmil-images/mine/5kll) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169D | Descriptor: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KJ5
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![BU of 5kj5 by Molmil](/molmil-images/mine/5kj5) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-17 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLO
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![BU of 5klo by Molmil](/molmil-images/mine/5klo) | Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A | Descriptor: | (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLM
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![BU of 5klm by Molmil](/molmil-images/mine/5klm) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived intermediate in NAD(+)-bound 2-aminomuconate 6-semialdehyde dehydrogenase N169D | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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4GUL
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![BU of 4gul by Molmil](/molmil-images/mine/4gul) | Study on structure and function relationships in human ferric Pirin | Descriptor: | FE (III) ION, Pirin | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-08-29 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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5KLK
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![BU of 5klk by Molmil](/molmil-images/mine/5klk) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde | Descriptor: | (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLN
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![BU of 5kln by Molmil](/molmil-images/mine/5kln) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+ | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | Deposit date: | 2016-06-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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4HLT
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![BU of 4hlt by Molmil](/molmil-images/mine/4hlt) | Crystal structure of ferric E32V Pirin | Descriptor: | FE (II) ION, Pirin | Authors: | Liu, F, Rehmani, I, Esaki, S, Fu, R, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-10-17 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HVR
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![BU of 4hvr by Molmil](/molmil-images/mine/4hvr) | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | Descriptor: | 2-HYDROXYBENZOIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION | Authors: | Liu, F, Chen, L, Liu, A. | Deposit date: | 2012-11-06 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans To be Published
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4HSL
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![BU of 4hsl by Molmil](/molmil-images/mine/4hsl) | 2.00 angstrom x-ray crystal structure of substrate-bound E110A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | Descriptor: | 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Liu, F, Chen, L, Liu, A. | Deposit date: | 2012-10-30 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.00 angstrom x-ray crystal structure of substrate-bound
E110A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus
metallidurans To be Published
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4I3P
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![BU of 4i3p by Molmil](/molmil-images/mine/4i3p) | |
4IGM
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![BU of 4igm by Molmil](/molmil-images/mine/4igm) | 2.39 Angstrom X-ray Crystal structure of human ACMSD | Descriptor: | 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION | Authors: | Liu, F, Liu, A. | Deposit date: | 2012-12-17 | Release date: | 2014-05-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | 2.39 Angstrom X-ray Crystal structure of human ACMSD To be Published
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