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3KYX
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BU of 3kyx by Molmil
Joint Xray/neutron crystal structure determination of fully perdeuterated rubredoxin at 295K
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S, Meilleur, F.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法NEUTRON DIFFRACTION (1.675 Å), X-RAY DIFFRACTION
主引用文献Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
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)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3
著者Correy, G.J, Fraser, J.S, Meilleur, F.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献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
5TC9
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BU of 5tc9 by Molmil
Wild type TrCel7A catalytic domain in a closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ION, Glucanase, ...
著者Bodenheimer, A.M, Meilleur, F.
登録日2016-09-14
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase
著者O'Dell, W.B, Meilleur, F.
登録日2016-10-06
公開日2017-05-17
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
著者O'Dell, W.B, Meilleur, F.
登録日2016-10-06
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
分子名称: 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, ...
著者O'Dell, W.B, Meilleur, F.
登録日2016-10-06
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
著者O'Dell, W.B, Meilleur, F.
登録日2016-10-06
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
分子名称: CHLORIDE ION, Endolysin
著者Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
登録日2017-05-01
公開日2017-07-26
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ...
著者Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
登録日2017-05-01
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献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.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6MEZ
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BU of 6mez by Molmil
X-ray structure of the Fenna-Matthews-Olsen antenna complex from Prosthecochloris aestuarii
分子名称: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein, SULFATE ION
著者Selvaraj, B, Lu, X, Cuneo, M.J, Myles, D.A.A.
登録日2018-09-07
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Golden, E, Vrielink, A.
登録日2015-01-29
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Golden, E, Vrielink, A.
登録日2015-01-30
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Production and characterization of recombinant perdeuterated cholesterol oxidase.
Anal.Biochem., 485, 2015
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cuneo, M.J, Agarwal, P.K.
登録日2015-10-16
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
7ADQ
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BU of 7adq by Molmil
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
分子名称: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A.
登録日2020-09-15
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
5XPE
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BU of 5xpe by Molmil
Neutron structure of the T26H mutant of T4 lysozyme
分子名称: CHLORIDE ION, Endolysin, SODIUM ION
著者Hiromoto, T, Kuroki, R.
登録日2017-06-01
公開日2017-10-04
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.648 Å), X-RAY DIFFRACTION
主引用文献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
分子名称: CHLORIDE ION, Endolysin, GLYCEROL, ...
著者Hiromoto, T, Kuroki, R.
登録日2017-06-01
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献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
7KFM
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BU of 7kfm by Molmil
Room temperature oxyferrous Dehaloperoxidase B
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ...
著者Carey, L.M, Ghiladi, R.A.
登録日2020-10-14
公開日2021-10-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
3KYU
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BU of 3kyu by Molmil
X-ray crystal structure determination of fully perdeuterated rubredoxin at 100K
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: FE (III) ION, Rubredoxin
著者Gardberg, A.S.
登録日2009-12-07
公開日2010-04-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
主引用文献Unambiguous determination of H-atom positions: comparing results from neutron and high-resolution X-ray crystallography.
Acta Crystallogr.,Sect.D, 66, 2010
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
分子名称: (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
著者Sacco, M.D, Wang, J, Chen, Y.
登録日2022-01-24
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
7TWS
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BU of 7tws by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 10 (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献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
7TWI
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BU of 7twi by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form, 539 kGy)
分子名称: Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-02-07
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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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