4NCM
 
 | | Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor | | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2 | | Authors: | Jacobs, M.D. | | Deposit date: | 2013-10-24 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
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4NCE
 | | Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2 | | Authors: | Jacobs, M.D. | | Deposit date: | 2013-10-24 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
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4OUB
 | | A 2.20 angstroms X-ray crystal structure of E268A 2-aminomucaonate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | | Descriptor: | (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huo, L, Liu, A. | | Deposit date: | 2014-02-15 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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4OU2
 | | A 2.15 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | | Descriptor: | (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huo, L, Liu, A. | | Deposit date: | 2014-02-14 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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4P1U
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4HVO
 | | 1.75 angstrom x-ray crystal structure of cufe reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, COPPER (II) ION, FE (II) ION | | Authors: | Liu, F, Chen, L, Liu, A. | | Deposit date: | 2012-11-06 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 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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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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6E87
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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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6UPG
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe | | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nguyen, R.C.D, Yang, Y, Liu, A. | | Deposit date: | 2019-10-17 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.393 Å) | | Cite: | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
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6UPI
 | | Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe | | Descriptor: | (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nguyen, R.C.D, Yang, Y, Liu, A. | | Deposit date: | 2019-10-17 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.808 Å) | | Cite: | Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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6XLT
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6XLS
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6XLR
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