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6TIN
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BU of 6tin by Molmil
Structure of A. niger Fdc WT in complex with FMN and indole 2 carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIH
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BU of 6tih by Molmil
Structure of A. niger Fdc WT in complex with benzothiophene 2 carboxylic acid
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.021 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIB
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BU of 6tib by Molmil
Structure of A. niger Fdc I327S variant in complex with 2 naphthoic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIE
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BU of 6tie by Molmil
Structure of A. niger Fdc I327S variant in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIJ
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BU of 6tij by Molmil
Structure of A. niger Fdc WT in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6ZXU
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BU of 6zxu by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
Descriptor: CHLORIDE ION, COBALAMIN, IRON/SULFUR CLUSTER, ...
Authors:Leys, D, Halliwell, T.
Deposit date:2020-07-30
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6ZXX
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BU of 6zxx by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
Descriptor: 3 bromo 4 hydroxybenzoic acid, 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid, BROMIDE ION, ...
Authors:Leys, D, Halliwell, T.
Deposit date:2020-07-30
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6ZY1
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BU of 6zy1 by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid
Descriptor: 3 bromo 4 hydroxybenzoic acid, COBALAMIN, IRON/SULFUR CLUSTER, ...
Authors:Leys, D, Halliwell, T.
Deposit date:2020-07-30
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6ZY0
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BU of 6zy0 by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged, K488Q variant
Descriptor: CHLORIDE ION, COBALAMIN, IRON/SULFUR CLUSTER, ...
Authors:Leys, D, Halliwell, T.
Deposit date:2020-07-30
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
7ABN
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BU of 7abn by Molmil
Structure of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA
Descriptor: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, IMIDAZOLE, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2020-09-08
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Acs Catalysis, 11, 2021
7ABO
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BU of 7abo by Molmil
Structure of the N318H variant of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA in complex with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, SODIUM ION, ...
Authors:Leys, D, Marshall, S.A.
Deposit date:2020-09-08
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Acs Catalysis, 11, 2021
4O4P
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BU of 4o4p by Molmil
Structure of P450 BM3 A82F F87V in complex with S-omeprazol
Descriptor: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2013-12-19
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3.
Biochem.J., 460, 2014
4OQS
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BU of 4oqs by Molmil
Crystal structure of CYP105AS1
Descriptor: CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OQR
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BU of 4oqr by Molmil
Structure of a CYP105AS1 mutant in complex with compactin
Descriptor: CYP105AS1, Mevastatin, Compactin, ...
Authors:Leys, D.
Deposit date:2014-02-10
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
4L54
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BU of 4l54 by Molmil
Structure of cytochrome P450 OleT, ligand-free
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase
Authors:Leys, D.
Deposit date:2013-06-10
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp. 8456 Bacterium.
J.Biol.Chem., 289, 2014
4L40
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BU of 4l40 by Molmil
Structure of the P450 OleT with a C20 fatty acid substrate bound
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Terminal olefin-forming fatty acid decarboxylase, icosanoic acid
Authors:Leys, D.
Deposit date:2013-06-07
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp. 8456 Bacterium.
J.Biol.Chem., 289, 2014
3CXY
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BU of 3cxy by Molmil
Crystal structure of the cytochrome P450 CYP121 P346L mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of active site structure in CYP121
TO BE PUBLISHED
3CXV
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BU of 3cxv by Molmil
Crystal structure of the Cytochrome P450 CYP121 A233G mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv.
J.Biol.Chem., 283, 2008
3CY0
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BU of 3cy0 by Molmil
Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterisation of active site structure of cytochrome CYP121
TO BE PUBLISHED
3CXX
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BU of 3cxx by Molmil
Crystal structure of cytochrome P450 CYP121 F338H from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the active site structure of CY121
TO BE PUBLISHED
3CY1
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BU of 3cy1 by Molmil
Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterisation of active site of cytochrome P450 CYP121
TO BE PUBLISHED
3EKB
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BU of 3ekb by Molmil
Crystal structure of the A264C mutant heme domain of cytochrome P450 BM3
Descriptor: Cytochrome P450(BM-3), PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
5LW6
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BU of 5lw6 by Molmil
Crystal structure of a Se-Met substituted Dictyostelium discoideum ADP-ribose binding macrodomain (residues 342-563) of DDB_G0293866
Descriptor: DDB_G0293866
Authors:Leys, D, Barkauskaite, E, Pinero, B.B, Ahel, I.
Deposit date:2016-09-15
Release date:2016-09-28
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of ADP-ribosylation in regulating DNA interstrand crosslink repair.
J.Cell.Sci., 129, 2016
4KEW
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BU of 4kew by Molmil
structure of the A82F BM3 heme domain in complex with omeprazole
Descriptor: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2013-04-26
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013
4KF0
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BU of 4kf0 by Molmil
Structure of the A82F P450 BM3 heme domain
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2013-04-26
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias.
J.Biol.Chem., 288, 2013

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数据于2024-05-15公开中

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