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6UPI
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BU of 6upi by Molmil
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
5V28
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BU of 5v28 by Molmil
2.72 angstrom crystal structure of P97A 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:Dornevil, K, Liu, F, Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.724 Å)
Cite:2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
5V26
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BU of 5v26 by Molmil
1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Dornevil, K, Liu, F, Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
5V27
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BU of 5v27 by Molmil
2.35 angstrom crystal structure of P97V 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:Dornevil, K, Liu, F, Liu, A.
Deposit date:2017-03-02
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:2.35 angstrom crystal structure of P97V 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans
To Be Published
7REI
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BU of 7rei by Molmil
The crystal structure of nickel bound human ADO C18S C239S variant
Descriptor: 2-aminoethanethiol dioxygenase, GLYCEROL, NICKEL (II) ION
Authors:Wang, Y, Shin, I, Li, J, Liu, A.
Deposit date:2021-07-12
Release date:2021-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of human cysteamine dioxygenase provides a structural rationale for its function as an oxygen sensor.
J.Biol.Chem., 297, 2021
1QM1
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BU of 1qm1 by Molmil
Human prion protein fragment 90-230
Descriptor: PRION PROTEIN
Authors:Zahn, R, Liu, A, Luhrs, T, Wuthrich, K.
Deposit date:1999-09-20
Release date:1999-12-16
Last modified:2011-12-07
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Human Prion Protein.
Proc.Natl.Acad.Sci.USA, 97, 2000
1QM3
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BU of 1qm3 by Molmil
Human prion protein fragment 121-230
Descriptor: PRION PROTEIN
Authors:Zahn, R, Liu, A, Luhrs, T, Wuthrich, K.
Deposit date:1999-09-20
Release date:1999-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Human Prion Protein
Proc.Natl.Acad.Sci.USA, 97, 2000
1QLZ
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BU of 1qlz by Molmil
Human prion protein
Descriptor: PRION PROTEIN
Authors:Zahn, R, Liu, A, Luhrs, T, Wuthrich, K.
Deposit date:1999-09-20
Release date:1999-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Human Prion Protein
Proc.Natl.Acad.Sci.USA, 97, 2000
1QLX
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BU of 1qlx by Molmil
Human prion protein
Descriptor: PRION PROTEIN
Authors:Zahn, R, Liu, A, Luhrs, T, Wuthrich, K.
Deposit date:1999-09-17
Release date:1999-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Human Prion Protein
Proc.Natl.Acad.Sci.USA, 97, 2000
1QM0
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BU of 1qm0 by Molmil
Human prion protein fragment 90-230
Descriptor: PRION PROTEIN
Authors:Zahn, R, Liu, A, Luhrs, T, Wuthrich, K.
Deposit date:1999-09-20
Release date:1999-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Human Prion Protein
Proc.Natl.Acad.Sci.USA, 97, 2000
1QM2
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BU of 1qm2 by Molmil
Human prion protein fragment 121-230
Descriptor: PRION PROTEIN
Authors:Zahn, R, Liu, A, Luhrs, T, Wuthrich, K.
Deposit date:1999-09-20
Release date:1999-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Human Prion Protein
Proc.Natl.Acad.Sci.USA, 97, 2000
6MGT
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BU of 6mgt by Molmil
Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Mutant H110A
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
Authors:Yang, Y, Daivs, I, Matsui, T, Rubalcava, I, Liu, A.
Deposit date:2018-09-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity.
J.Biol.Chem., 294, 2019
6MGS
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BU of 6mgs by Molmil
Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase with Space Group of C2221
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
Authors:Yang, Y, Davis, I, Matsui, T, Rubalcava, I, Liu, A.
Deposit date:2018-09-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.131 Å)
Cite:Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity.
J.Biol.Chem., 294, 2019
6ON3
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BU of 6on3 by Molmil
A substrate bound structure of L-DOPA dioxygenase from Streptomyces sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-DIHYDROXYPHENYLALANINE, FE (II) ION, ...
Authors:Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A.
Deposit date:2019-04-19
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Biochemistry, 58, 2019
8CZP
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BU of 8czp by Molmil
2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor
Descriptor: ACETATE ION, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, J, Liu, A.
Deposit date:2022-05-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor
To Be Published
5WP2
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BU of 5wp2 by Molmil
1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ...
Authors:Fielding, A, Dornevil, K, Liu, A.
Deposit date:2017-08-03
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.439 Å)
Cite:Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature.
J. Am. Chem. Soc., 139, 2017
4NPI
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BU of 4npi by Molmil
1.94 Angstroms X-ray crystal structure of NAD- and intermediate- bound alpha-aminomuconate-epsilon-semialdehyde dehydrogenase 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, Davis, I, Liu, F, Iwaki, H, Hasegawa, Y, Liu, A.
Deposit date:2013-11-21
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
4OE2
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BU of 4oe2 by Molmil
2.00 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens
Descriptor: 2-aminomuconate 6-semialdehyde dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Huo, L, Davis, I, Liu, F, Esaki, S, Iwaki, H, Hasegawa, Y, Liu, A.
Deposit date:2014-01-11
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
7K12
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BU of 7k12 by Molmil
ACMSD in complex with diflunisal
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ...
Authors:Yang, Y, Liu, A.
Deposit date:2020-09-07
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
4OFC
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BU of 4ofc by Molmil
2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye decarboxylase
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
Authors:Huo, L, Liu, F, Iwaki, H, Chen, L, Hasegawa, Y, Liu, A.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
7K13
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BU of 7k13 by Molmil
ACMSD in complex with diflunisal derivative 14
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 2-hydroxy-5-(thiophen-3-yl)benzoic acid, ZINC ION
Authors:Yang, Y, Liu, A.
Deposit date:2020-09-07
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
7KQ2
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BU of 7kq2 by Molmil
1.98 A resolution crystal structure of Group A Streptococcus H111A HupZ-V5-His6
Descriptor: GLYCEROL, HupZ, SULFATE ION
Authors:Traore, E, Li, J, Liu, A.
Deposit date:2020-11-13
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Heme Binding to HupZ with a C-Terminal Tag from Group A Streptococcus.
Molecules, 26, 2021
7KPZ
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BU of 7kpz by Molmil
1.70 A resolution crystal structure of Group A Streptococcus HupZ-V5-His6
Descriptor: HupZ
Authors:Li, J, Liu, A.
Deposit date:2020-11-13
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Heme Binding to HupZ with a C-Terminal Tag from Group A Streptococcus.
Molecules, 26, 2021
7KQR
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BU of 7kqr by Molmil
A 1.89-A resolution substrate-bound crystal structure of heme-dependent tyrosine hydroxylase from S. sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heme-dependent L-tyrosine hydroxylase, ...
Authors:Wang, Y, Shin, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021
7KQU
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BU of 7kqu by Molmil
A 1.58-A resolution crystal structure of ferric-hydroperoxo intermediate of L-tyrosine hydroxylase in complex with 3-fluoro-L-tyrosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-FLUOROTYROSINE, ...
Authors:Wang, Y, Davis, I, Liu, A.
Deposit date:2020-11-17
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
J.Am.Chem.Soc., 143, 2021

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數據於2024-06-12公開中

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