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8K6Y
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Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G.
登録日2023-07-25
公開日2023-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
6U5G
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MicroED structure of a FIB-milled CypA Crystal
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
6U5D
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RT XFEL structure of CypA solved using LCP injection system
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C.
登録日2019-08-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
7R52
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Crystal structure of human TLR8 in complex with Compound 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2022-02-10
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.943 Å)
主引用文献Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R53
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Crystal structure of human TLR8 in complex with Compound 15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2022-02-10
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.121 Å)
主引用文献Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7R54
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Crystal structure of human TLR8 in complex with Compound 4
分子名称: (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2022-02-10
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.836 Å)
主引用文献Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
7AZT
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X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, RE11660p
著者Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S, Pandey, S.
登録日2020-11-17
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
7AYV
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X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ...
著者Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S.
登録日2020-11-13
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
8XFR
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BU of 8xfr by Molmil
Structure of the alginate epimerase/lyase complexed with tetra-mannuronic acid
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Fujiwara, T.
登録日2023-12-14
公開日2024-05-15
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Febs Lett., 598, 2024
8XFQ
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Structure of the alginate epimerase/lyase complexed with penta-mannuronic acid
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
著者Fujiwara, T.
登録日2023-12-14
公開日2024-05-15
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Febs Lett., 598, 2024
6WOS
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Structure of broadly neutralizing antibody AR3B
分子名称: Fab AR3B heavy chain, Fab AR3B light chain
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2020-04-25
公開日2020-08-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
8A83
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rsEGFP2 with a chlorinated chromophore in the fluorescent ON-state in a crystal dehydrated after illumination
分子名称: Green fluorescent protein, SULFATE ION
著者Fadini, A, van Thor, J, Chang, J.
登録日2022-06-21
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
6Q2A
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BU of 6q2a by Molmil
Trypanosoma brucei CLK1 kinase domain in complex with a covalent aminobenzimidazole inhibitor AB1
分子名称: Protein kinase, putative, SULFATE ION, ...
著者Ma, X, Ornelas, E.
登録日2019-08-07
公開日2020-06-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting the trypanosome kinetochore with CLK1 protein kinase inhibitors.
Nat Microbiol, 5, 2020
6WO5
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Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody 212.1.1 and non neutralizing antibody E1
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2020-04-24
公開日2020-08-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.619 Å)
主引用文献An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
6WO3
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Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody U1
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2020-04-24
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
6WO4
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Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody HC11
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2020-04-24
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
6WOQ
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Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody HC1AM and non neutralizing antibody E1
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Law, M.
登録日2020-04-25
公開日2020-08-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.667 Å)
主引用文献An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
5FIV
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
分子名称: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
登録日1998-12-02
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
4LL4
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BU of 4ll4 by Molmil
The structure of the TRX and TXNIP complex
分子名称: Thioredoxin, Thioredoxin-interacting protein
著者Hwang, J, Kim, M.H.
登録日2013-07-09
公開日2014-02-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014
4LL1
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The structure of the TRX and TXNIP complex
分子名称: Thioredoxin, Thioredoxin-interacting protein
著者Hwang, J, Kim, M.H.
登録日2013-07-09
公開日2014-02-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014
4XHJ
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gHgL of Varicella-zoster virus in complex with human neutralizing antibodies.
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, Envelope glycoprotein H, ...
著者Xing, Y.
登録日2015-01-05
公開日2015-05-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.156 Å)
主引用文献A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XI5
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gHgL of varicella-zoster virus in complex with human neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
著者Xing, Y.
登録日2015-01-06
公開日2015-05-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献A site of varicella-zoster virus vulnerability identified by structural studies of neutralizing antibodies bound to the glycoprotein complex gHgL.
Proc.Natl.Acad.Sci.USA, 112, 2015
5Y6D
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VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
分子名称: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
5Y6E
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VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)
分子名称: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
5K5B
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Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ...
著者Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S.
登録日2016-05-23
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016

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