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1GY1
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BU of 1gy1 by Molmil
Crystal structures of Ser86Asp and Met148Leu Rusticyanin
Descriptor: COPPER (II) ION, RUSTICYANIN
Authors:Hough, M.A, Kanbi, L.D, Antonyuk, S, Dodd, F, Hasnain, S.
Deposit date:2002-04-16
Release date:2002-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of the met148Leu and Ser86Asp Mutants of Rusticyanin from Thiobacillus Ferrooxidans: Insights Into the Structural Relationship with the Cupredoxins and the Multi Copper Proteins
J.Mol.Biol., 320, 2002
1GY2
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BU of 1gy2 by Molmil
Crystal structure of Met148Leu rusticyanin
Descriptor: COPPER (II) ION, GLYCEROL, RUSTICYANIN
Authors:Hough, M.A, Kanbi, L.D, Antonyuk, S, Dodd, F, Hasnain, S.
Deposit date:2002-04-16
Release date:2002-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structures of the met148Leu and Ser86Asp Mutants of Rusticyanin from Thiobacillus Ferrooxidans: Insights Into the Structural Relationship with the Cupredoxins and the Multi Copper Proteins.
J.Mol.Biol., 320, 2002
2IPP
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BU of 2ipp by Molmil
Crystal Structure of the tetragonal form of human liver cathepsin B
Descriptor: 2-PYRIDINETHIOL, Cathepsin B
Authors:Huber, C.P, Campbell, R.L, Hasnain, S, Hirama, T, To, R.
Deposit date:2006-10-12
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the tetragonal form of human liver cathepsin B
To be Published
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
1AEC
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BU of 1aec by Molmil
CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+
Descriptor: ACTINIDIN, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Varughese, K.I.
Deposit date:1992-02-05
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of an actinidin-E-64 complex.
Biochemistry, 31, 1992
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
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
1CPJ
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BU of 1cpj by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor: CATHEPSIN B
Authors:Huber, C.P, Jia, Z.
Deposit date:1995-07-17
Release date:1995-12-07
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
1THE
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BU of 1the by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor: Cathepsin B, amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}methaniminium
Authors:Huber, C.P, Jia, Z.
Deposit date:1995-09-15
Release date:1996-03-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
1CTE
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BU of 1cte by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
Descriptor: 2-PYRIDINETHIOL, CATHEPSIN B
Authors:Huber, C.P, Jia, Z.
Deposit date:1995-05-03
Release date:1995-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design.
J.Biol.Chem., 270, 1995
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
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
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
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
1DOT
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BU of 1dot by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF DUCK OVOTRANSFERRIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, DUCK OVOTRANSFERRIN, ...
Authors:Rawas, A, Muirhead, H.
Deposit date:1995-08-03
Release date:1996-03-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of diferric duck ovotransferrin at 2.35 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
1TFD
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BU of 1tfd by Molmil
HIGH-RESOLUTION X-RAY STUDIES ON RABBIT SERUM TRANSFERRIN: PRELIMINARY STRUCTURE ANALYSIS OF THE N-TERMINAL HALF-MOLECULE AT 2.3 ANGSTROMS RESOLUTION
Descriptor: CARBONATE ION, FE (III) ION, TRANSFERRIN
Authors:Sarra, R, Lindley, P.F.
Deposit date:1990-08-16
Release date:1993-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-Resolution X-Ray Studies on Rabbit Serum Transferrin: Preliminary Structure Analysis of the N-Terminal Half-Molecule at 2.3 Angstroms Resolution
Acta Crystallogr.,Sect.B, 46, 1990

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