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7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
6HAW
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BU of 6haw by Molmil
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
1E9O
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BU of 1e9o by Molmil
Crystal structure of bovine SOD - 1 of 3
Descriptor: COPPER (II) ION, SUPEROXIDE DISMUTASE
Authors:Hough, M.A, Samar Hasnain, S.
Deposit date:2000-10-25
Release date:2000-12-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational Variability of the Cu Site in One Subunit of Bovine Cuzn Superoxide Dismutase: The Importance of Mobility in the Glu119-Leu142 Loop Region for Catalytic Function
J.Mol.Biol., 304, 2000
1OVB
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BU of 1ovb by Molmil
THE MECHANISM OF IRON UPTAKE BY TRANSFERRINS: THE STRUCTURE OF AN 18KD NII-DOMAIN FRAGMENT AT 2.3 ANGSTROMS RESOLUTION
Descriptor: CARBONATE ION, FE (III) ION, OVOTRANSFERRIN
Authors:Kuser, P, Lindley, P, Sarra, R.
Deposit date:1992-10-05
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The mechanism of iron uptake by transferrins: the structure of an 18 kDa NII-domain fragment from duck ovotransferrin at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
2C9U
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BU of 2c9u by Molmil
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
2C9S
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BU of 2c9s by Molmil
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
5I6O
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BU of 5i6o by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 20.70 MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5I6P
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BU of 5i6p by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 27.60 MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5I6M
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BU of 5i6m by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 7.59 MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5I6L
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BU of 5i6l by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 2.76 MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5I6K
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BU of 5i6k by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 0.69 MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
5I6N
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BU of 5i6n by Molmil
Crystal Structure of Copper Nitrite Reductase at 100K after 11.73 MGy
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
Authors:Horrell, S, Hough, M.A, Strange, R.W.
Deposit date:2016-02-16
Release date:2016-07-13
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
6SPA
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BU of 6spa by Molmil
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
Authors:Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
Deposit date:2019-08-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
6SPK
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BU of 6spk by Molmil
A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6
Descriptor: 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S.
Deposit date:2019-09-01
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.77 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
6SPH
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BU of 6sph by Molmil
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 WITH EBSELEN BOND IN C2 SPACE GROUP
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-phenyl-2-selanylbenzamide, ...
Authors:Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
Deposit date:2019-09-01
Release date:2020-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
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
6FWF
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BU of 6fwf by Molmil
Low resolution structure of Neisseria meningitidis qNOR
Descriptor: CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ...
Authors:Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y.
Deposit date:2018-03-06
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme.
Sci Rep, 8, 2018
3GZO
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BU of 3gzo by Molmil
HUMAN SOD1 G93A Variant
Descriptor: COPPER (II) ION, GLYCEROL, MALONATE ION, ...
Authors:Galaleldeen, A, Taylor, A.B, Narayana, N, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
3GZP
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BU of 3gzp by Molmil
HUMAN SOD1 G93A Metal-free Variant
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
3GZQ
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BU of 3gzq by Molmil
HUMAN SOD1 A4V Metal-free Variant
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
4HHB
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BU of 4hhb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PHOSPHATE ION, ...
Authors:Fermi, G, Perutz, M.F.
Deposit date:1984-03-07
Release date:1984-07-17
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The crystal structure of human deoxyhaemoglobin at 1.74 A resolution
J.Mol.Biol., 175, 1984
5OF7
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BU of 5of7 by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-10
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018

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