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6ZAV
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BU of 6zav by Molmil
NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.19 A resolution (unrestrained, full matrix refinement by SHELX)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
Deposit date:2020-06-05
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
4A7Q
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BU of 4a7q by Molmil
Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group.
Descriptor: 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ...
Authors:Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S.
Deposit date:2011-11-14
Release date:2012-10-24
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions.
Curr.Med.Chem., 20, 2013
4A7G
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BU of 4a7g by Molmil
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
Descriptor: 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ...
Authors:Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S.
Deposit date:2011-11-14
Release date:2012-10-24
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6ZAW
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BU of 6zaw by Molmil
Damage-free NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
Deposit date:2020-06-05
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
6ZAR
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BU of 6zar by Molmil
As-isolated copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.1 A resolution (unrestrained, full matrix refinement by SHELX)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
Deposit date:2020-06-05
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
6ZAX
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BU of 6zax by Molmil
Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at low dose (0.5 MGy)
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
Authors:Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S.
Deposit date:2020-06-05
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
4A7S
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BU of 4a7s by Molmil
Structure of human I113T SOD1 mutant complexed with 5-Fluorouridine in the p21 space group
Descriptor: 5-FLUOROURIDINE, ACETATE ION, COPPER (II) ION, ...
Authors:Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S.
Deposit date:2011-11-14
Release date:2012-12-05
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
3ZQV
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BU of 3zqv by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: NON-RESTRAINED REFINEMENT
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-12
Release date:2011-10-05
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
4A7V
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BU of 4a7v by Molmil
Structure of human I113T SOD1 mutant complexed with dopamine in the p21 space group
Descriptor: COPPER (II) ION, L-DOPAMINE, SULFATE ION, ...
Authors:Wright, G.S.A, Antonyuk, S.V, Kershaw, N.M, Strange, R.W, Hasnain, S.S.
Deposit date:2011-11-14
Release date:2012-11-28
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
3ZTZ
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BU of 3ztz by Molmil
Cytochrome c prime from alcaligenes xylosoxidans: carbon monooxide bound L16G variant at 1.05 A resolution: unrestraint refinement
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-07-12
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YKZ
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BU of 2ykz by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: RESTRAINED REFINEMENT
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-30
Release date:2011-10-05
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL0
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BU of 2yl0 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16A VARIANT AT 0.95 A RESOLUTION
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-30
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL7
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BU of 2yl7 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16G VARIANT AT 0.9 A RESOLUTION - RESTRAINT REFINEMENT
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-31
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLG
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BU of 2ylg by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: ASCORBATE AND CARBON MONOOXIDE BOUND L16A VARIANT AT 1.05 A RESOLUTION
Descriptor: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-02
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLI
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BU of 2yli by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS IN ITS FERROUS FORM AT 1.45 A
Descriptor: CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-02
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL1
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BU of 2yl1 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16A VARIANT AT 1.03 A RESOLUTION - Restraint refinement
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-30
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YQB
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BU of 2yqb by Molmil
Structure of P93A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.4 A resolution
Descriptor: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C
Authors:Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S.
Deposit date:2012-11-07
Release date:2013-04-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structures of protein-protein complexes involved in electron transfer.
Nature, 496, 2013
2YV3
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BU of 2yv3 by Molmil
Crystal Structure of Aspartate Semialdehyde Dehydrogenase from Thermus thermophilus HB8
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Kagawa, W, Fujikawa, N, Kurumizaka, H, Bessho, Y, Ellis, M.J, Antonyuk, S.V, Strange, R.W, Hasnain, S.S, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-07
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Aspartate Semialdehyde Dehydrogenase from Thermus thermophilus HB8
To be Published
1NDT
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BU of 1ndt by Molmil
NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Descriptor: CHLORIDE ION, COPPER (II) ION, PROTEIN (NITRITE REDUCTASE)
Authors:Dodd, F.E, Vanbeeumen, J, Eady, R.R, Hasnain, S.S.
Deposit date:1998-10-28
Release date:1998-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of a blue-copper nitrite reductase in two crystal forms. The nature of the copper sites, mode of substrate binding and recognition by redox partner.
J.Mol.Biol., 282, 1998
1NDS
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BU of 1nds by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A SUBSTRATE BOUND BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Descriptor: COPPER (II) ION, NITRITE ION, NITRITE REDUCTASE
Authors:Dodd, F.E, Hasnain, S.S, Abraham, Z.H.L, Eady, R.R, Smith, B.E.
Deposit date:1997-01-23
Release date:1997-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of a blue-copper nitrite reductase and its substrate-bound complex.
Acta Crystallogr.,Sect.D, 53, 1997
1NDR
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BU of 1ndr by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Descriptor: COPPER (II) ION, NITRITE REDUCTASE
Authors:Dodd, F.E, Hasnain, S.S, Abraham, Z.H.L, Eady, R.R, Smith, B.E.
Deposit date:1997-01-23
Release date:1997-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of a blue-copper nitrite reductase and its substrate-bound complex.
Acta Crystallogr.,Sect.D, 53, 1997

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