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6SPI
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BU of 6spi by Molmil
A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 4
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
Deposit date:2019-09-01
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
6SPJ
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BU of 6spj by Molmil
A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 1
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
Deposit date:2019-09-01
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
5YTU
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BU of 5ytu by Molmil
Structure of human SOD1 complexed with isoproteranol in C2221 space group
Descriptor: Dihydrogen tetrasulfide, GLYCEROL, ISOPRENALINE, ...
Authors:Manjula, R, Padmanabhan, B.
Deposit date:2017-11-20
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation
FEBS Lett., 592, 2018
5YTO
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BU of 5yto by Molmil
Crystal Structure of human Superoxide Dismutase I (hSOD1) in complex with a napthalene-catechol linked compound.
Descriptor: 4-[(1~{R})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol, GLYCEROL, PENTASULFIDE-SULFUR, ...
Authors:Padmanabhan, B, Manjula, R.
Deposit date:2017-11-19
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation
FEBS Lett., 592, 2018
5YUL
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BU of 5yul by Molmil
Native Structure of hSOD1 in P6322 space group
Descriptor: Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ...
Authors:Manjula, R, Padmanabhan, B.
Deposit date:2017-11-22
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation
FEBS Lett., 592, 2018
6A9O
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BU of 6a9o by Molmil
Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis
Descriptor: 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ...
Authors:Manjula, R, Padmanabhan, B.
Deposit date:2018-07-14
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis.
J.Biomol.Struct.Dyn., 37, 2019
7OZC
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BU of 7ozc by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, Arylsulfatase A, CALCIUM ION
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZ8
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BU of 7oz8 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1918_S1_46)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ACETATE ION, Choline-sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7P26
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BU of 7p26 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT4631_S1_15)
Descriptor: CALCIUM ION, POLYETHYLENE GLYCOL (N=34), Putative arylsulfatase, ...
Authors:Cartmell, A.
Deposit date:2021-07-04
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7P24
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BU of 7p24 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3177_S1_11)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-07-03
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZA
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BU of 7oza by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3796_S1_16)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZ9
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BU of 7oz9 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3057-S1_16)
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose, 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZE
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BU of 7oze by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1624-S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Putative secreted sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
6QPU
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BU of 6qpu by Molmil
Crystal structure of as isolated synthetic core domain of nitrite reductase from Ralstonia pickettii (residues 1-331)
Descriptor: CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Antonyuk, S.V, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-15
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QPT
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BU of 6qpt by Molmil
Crystal structure of nitrite bound synthetic core domain of nitrite reductase from Ralstonia pickettii (residues 1-331)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ...
Authors:Antonyuk, S.V, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-15
Release date:2019-11-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QPX
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BU of 6qpx by Molmil
Crystal structure of nitrite bound Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-15
Release date:2019-11-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QQ2
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BU of 6qq2 by Molmil
Crystal structure of nitrite bound Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QQ1
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BU of 6qq1 by Molmil
Crystal structure of as isolated Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QPZ
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BU of 6qpz by Molmil
Crystal structure of as isolated Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QPV
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BU of 6qpv by Molmil
Crystal structure of as isolated Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-15
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
6QQ0
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BU of 6qq0 by Molmil
Crystal structure of nitrite bound Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Antonyuk, S.V, Shenoy, R.T, Hedison, T.M, Eady, R.R, Hasnain, S.S, Scrutton, N.S.
Deposit date:2019-02-16
Release date:2019-11-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unexpected Roles of a Tether Harboring a Tyrosine Gatekeeper Residue in Modular Nitrite Reductase Catalysis.
Acs Catalysis, 9, 2019
8JS7
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BU of 8js7 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme
Descriptor: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
8JS5
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BU of 8js5 by Molmil
Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
8JS6
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BU of 8js6 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme
Descriptor: CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
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