6ZFT
 
 | | Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
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6ZFS
 | | Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
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6ZU6
 | | Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 1 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2020-07-21 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis.
Chem Sci, 11, 2020
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6ZUB
 | | Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 2 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2020-07-22 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis.
Chem Sci, 11, 2020
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6ZUA
 | | Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 4 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2020-07-22 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis.
Chem Sci, 11, 2020
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6ZUD
 | | Cu nitrite reductase from Achromobacter cycloclastes: MSOX series at 170K, dose point 3 | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ... | | Authors: | Hough, M.A, Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2020-07-22 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis.
Chem Sci, 11, 2020
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2C9U
 | | 1.24 Angstroms resolution structure of as-isolated Cu-Zn Human Superoxide dismutase | | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | | Authors: | Strange, R.W, Antonyuk, S.V, Hough, M.A, Doucette, P.A, Valentine S, J.S, Hasnain, S. | | Deposit date: | 2005-12-14 | | Release date: | 2005-12-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu-Zn, Zn-Zn and as-Isolated Wild-Type Enzymes.
J.Mol.Biol., 356, 2006
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2C9S
 | | 1.24 Angstroms resolution structure of Zn-Zn Human Superoxide dismutase | | Descriptor: | ACETATE ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Strange, R.W, Antonyuk, S.V, Hough, M.A, Doucette, P.A, Valentine S, J.S, Hasnain, S. | | Deposit date: | 2005-12-14 | | Release date: | 2005-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu-Zn, Zn-Zn and as-Isolated Wild-Type Enzymes.
J.Mol.Biol., 356, 2006
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2CNV
 | | SAICAR-synthase from Saccharomyces cerevisiae complexed SAICAR | | Descriptor: | ASPARTIC ACID, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID, PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE, ... | | Authors: | Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, V.R. | | Deposit date: | 2006-05-24 | | Release date: | 2006-06-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Diffraction Study of the Complex of the Enzyme Saicar Synthase with the Reaction Product
Crystallogr.Rep.(Transl. Kristallografiya), 51, 2006
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2C9V
 | | Atomic resolution structure of Cu-Zn Human Superoxide dismutase | | Descriptor: | COPPER (II) ION, SODIUM ION, SULFATE ION, ... | | Authors: | Strange, R.W, Antonyuk, S.V, Hough, M.A, Doucette, P.A, Valentine, J.S, Hasnain, S.S. | | Deposit date: | 2005-12-14 | | Release date: | 2005-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu-Zn, Zn-Zn and as-Isolated Wild-Type Enzymes.
J.Mol.Biol., 356, 2006
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3SS9
 | | Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.97 A resolution | | Descriptor: | D-serine dehydratase, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D. | | Deposit date: | 2011-07-08 | | Release date: | 2012-01-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
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3SS7
 | | Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.55 A resolution | | Descriptor: | D-serine dehydratase, GLYCEROL, POTASSIUM ION, ... | | Authors: | Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D. | | Deposit date: | 2011-07-07 | | Release date: | 2012-01-18 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
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2CNQ
 | | Atomic resolution structure of SAICAR-synthase from Saccharomyces cerevisiae complexed with ADP, AICAR, succinate | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ... | | Authors: | Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, W.R. | | Deposit date: | 2006-05-23 | | Release date: | 2006-06-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Saicar Synthase: Substrate Recognition, Conformational Flexibility and Catalysis.
To be Published
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2CNU
 | | Atomic resolution structure of SAICAR-synthase from Saccharomyces cerevisiae complexed with aspartic acid | | Descriptor: | ASPARTIC ACID, PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE, SULFATE ION | | Authors: | Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, W.R. | | Deposit date: | 2006-05-24 | | Release date: | 2006-06-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Saicar Synthase: Substrate Recognition, Conformational Flexibility and Catalysis.
To be Published
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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6ZAV
 | | 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
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6ZAR
 | | 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
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6ZAW
 | | 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
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6ZAX
 | | 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
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6ZAU
 | | Damage-free nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | | 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 (1.3 Å) | | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
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6ZAS
 | | Damage-free as-isolated copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | | 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
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6ZAT
 | | Nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.0 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 Å) | | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
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3KBB
 | | Crystal structure of putative beta-phosphoglucomutase from Thermotoga maritima | | Descriptor: | GLYCEROL, Phosphorylated carbohydrates phosphatase TM_1254, SULFATE ION | | Authors: | Strange, R.W, Antonyuk, S.V, Ellis, M.J, Bessho, Y, Kuramitsu, S, Yokoyama, S, Hasnain, S.S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-10-20 | | Release date: | 2009-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure of a putative beta-phosphoglucomutase (TM1254) from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 65, 2009
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6HAW
 | | Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | | Authors: | Amporndanai, K, Hong, W.D, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2018-08-08 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Potent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties.
ACS Med Chem Lett, 9, 2018
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4A7U
 | | Structure of human I113T SOD1 complexed with adrenaline in the p21 space group. | | Descriptor: | ACETATE ION, COPPER (II) ION, L-EPINEPHRINE, ... | | 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: | 2012-11-28 | | Last modified: | 2013-05-08 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
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