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7L74
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BU of 7l74 by Molmil
Crystal structure of Beta-hexosyl transferase from Hamamotoa (Sporobolomyces) singularis bound to TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosyltransferase, ...
Authors:Dagher, S.F, Edwards, B.F.P, Meilleur, F, Bruno-Barcena, J.M.
Deposit date:2020-12-25
Release date:2022-02-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and mutagenic analysis of the Beta-hexosyltransferase from Hamamotoa (Sporobolomyces) singularis
To Be Published
5TC9
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BU of 5tc9 by Molmil
Wild type TrCel7A catalytic domain in a closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ION, Glucanase, ...
Authors:Bodenheimer, A.M, Meilleur, F.
Deposit date:2016-09-14
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of wild-type Trichoderma reesei Cel7A catalytic domain in open and closed states.
FEBS Lett., 590, 2016
5TKI
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BU of 5tki by Molmil
Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-ray/neutron refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5TKH
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BU of 5tkh by Molmil
Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5TKF
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BU of 5tkf by Molmil
Neurospora crassa polysaccharide monooxygenase 2 high mannosylation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallization of a fungal lytic polysaccharide monooxygenase expressed from glycoengineered Pichia pastoris for X-ray and neutron diffraction.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5TKG
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BU of 5tkg by Molmil
Neurospora crassa polysaccharide monooxygenase 2 resting state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
7TX3
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BU of 7tx3 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S, Meilleur, F.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
5VNQ
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BU of 5vnq by Molmil
Neutron crystallographic structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
Descriptor: CHLORIDE ION, Endolysin
Authors:Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
Deposit date:2017-05-01
Release date:2017-07-26
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
5VNR
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BU of 5vnr by Molmil
X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ...
Authors:Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
Deposit date:2017-05-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7ADQ
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BU of 7adq by Molmil
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
Descriptor: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A.
Deposit date:2020-09-15
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2015-10-16
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
6MEZ
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BU of 6mez by Molmil
X-ray structure of the Fenna-Matthews-Olsen antenna complex from Prosthecochloris aestuarii
Descriptor: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein, SULFATE ION
Authors:Selvaraj, B, Lu, X, Cuneo, M.J, Myles, D.A.A.
Deposit date:2018-09-07
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Neutron and X-ray analysis of the Fenna-Matthews-Olson photosynthetic antenna complex from Prosthecochloris aestuarii.
Acta Crystallogr F Struct Biol Commun, 75, 2019
4XWR
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BU of 4xwr by Molmil
X-ray structure of perdeuterated Cholesterol Oxidase from Streptomyces SA-COO
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Golden, E, Vrielink, A.
Deposit date:2015-01-29
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Production and characterization of recombinant perdeuterated cholesterol oxidase.
Anal.Biochem., 485, 2015
4XXG
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BU of 4xxg by Molmil
Structure of protonated Cholesterol Oxidase from Streptomyces SA-COO
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Golden, E, Vrielink, A.
Deposit date:2015-01-30
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Production and characterization of recombinant perdeuterated cholesterol oxidase.
Anal.Biochem., 485, 2015
5XPE
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BU of 5xpe by Molmil
Neutron structure of the T26H mutant of T4 lysozyme
Descriptor: CHLORIDE ION, Endolysin, SODIUM ION
Authors:Hiromoto, T, Kuroki, R.
Deposit date:2017-06-01
Release date:2017-10-04
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.648 Å), X-RAY DIFFRACTION
Cite:Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
5XPF
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BU of 5xpf by Molmil
High-resolution X-ray structure of the T26H mutant of T4 lysozyme
Descriptor: CHLORIDE ION, Endolysin, GLYCEROL, ...
Authors:Hiromoto, T, Kuroki, R.
Deposit date:2017-06-01
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
3KYU
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BU of 3kyu by Molmil
X-ray crystal structure determination of fully perdeuterated rubredoxin at 100K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYV
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BU of 3kyv by Molmil
Denovo X-ray crystal structure determination of H-labeled perdeuterated rubredoxin at 100K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYW
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BU of 3kyw by Molmil
Xray crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
3KYY
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BU of 3kyy by Molmil
Joint Xray/neutron crystal structure determination of H-labeled perdeuterated rubredoxin at 295K
Descriptor: FE (III) ION, Rubredoxin
Authors:Gardberg, A.S.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
Cite:Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
7KFM
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BU of 7kfm by Molmil
Room temperature oxyferrous Dehaloperoxidase B
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2020-10-14
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
7TOB
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BU of 7tob by Molmil
Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Sacco, M.D, Wang, J, Chen, Y.
Deposit date:2022-01-24
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.
Cell Res., 32, 2022
7TWH
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BU of 7twh by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 290 kGy)
Descriptor: Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TWN
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BU of 7twn by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 5 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022

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