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5QJ1
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BU of 5qj1 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
Descriptor: 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5QJ0
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BU of 5qj0 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
Descriptor: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5GP4
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BU of 5gp4 by Molmil
Lactobacillus brevis CGMCC 1306 Glutamate decarboxylase
Descriptor: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Mei, L, Huang, J.
Deposit date:2016-07-31
Release date:2017-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Lactobacillus brevis CGMCC 1306 glutamate decarboxylase: Crystal structure and functional analysis.
Biochem. Biophys. Res. Commun., 503, 2018
7XND
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BU of 7xnd by Molmil
Crystal structure of Phosphomevalonate kinase from Silkworm
Descriptor: GLYCEROL, Phosphomevalonate kinase
Authors:Guo, P.C, Zhang, H.
Deposit date:2022-04-28
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the substrate binding of phosphomevalonate kinase from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 150, 2022
8HZ4
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BU of 8hz4 by Molmil
The tetrameric structure of biotin carboxylase from Chloroflexus aurantiacus in complex with bicarbonate
Descriptor: Biotin carboxylase
Authors:Shen, J, Wu, W, Xu, X.
Deposit date:2023-01-08
Release date:2024-01-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Chloroflexus aurantiacus acetyl-CoA carboxylase evolves fused biotin carboxylase and biotin carboxyl carrier protein to complete carboxylation activity.
Mbio, 15, 2024
2OZX
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BU of 2ozx by Molmil
Solution structure of human phosphohistidine phosphatase 1 in phosphate free form
Descriptor: 14 kDa phosphohistidine phosphatase
Authors:Gong, W, Cui, G, Jin, C, Xia, B.
Deposit date:2007-02-27
Release date:2008-03-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
8HZ5
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BU of 8hz5 by Molmil
The homodimer of a biotin carboxylase isoform from chloroflexus aurantiacus
Descriptor: Biotin carboxylase
Authors:Shen, J, Wu, W, Xu, X.
Deposit date:2023-01-08
Release date:2024-01-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chloroflexus aurantiacus acetyl-CoA carboxylase evolves fused biotin carboxylase and biotin carboxyl carrier protein to complete carboxylation activity.
Mbio, 15, 2024
8K3G
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BU of 8k3g by Molmil
Crystal structure of non-specific phospholipase C RePLC (Rasamsonia emersonii)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phospholipase C
Authors:Feng, C.H, Wang, Y.H.
Deposit date:2023-07-15
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Fungal Nonspecific Phospholipase C Unveils a Distinct Catalytic Mechanism.
J.Agric.Food Chem., 71, 2023
7D5L
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BU of 7d5l by Molmil
Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
Descriptor: NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Authors:Ghosh, K, Anumula, R, Kumar, A.
Deposit date:2020-09-26
Release date:2020-12-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
7WB0
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BU of 7wb0 by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state with flexible H2 domain
Descriptor: NTS-DNA, RNA (115-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WAZ
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BU of 7waz by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at ts loading state
Descriptor: NTS-DNA, RNA (115-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WAY
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BU of 7way by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state
Descriptor: DNA (27-MER), DNA (33-MER), RNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WB1
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BU of 7wb1 by Molmil
PlmCasX-sgRNAv2-dsDNA ternary complex at nts loading state
Descriptor: NTS-DNA, RNA (121-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
Deposit date:2018-06-18
Release date:2018-10-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6PGK
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BU of 6pgk by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Gisriel, C, Fromme, P.
Deposit date:2019-06-24
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
Authors:Darmanin, C, Holmes, S, Abbey, B.
Deposit date:2022-02-03
Release date:2022-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6H0K
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BU of 6h0k by Molmil
Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy
Descriptor: Lysozyme C
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-07-10
Release date:2018-09-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6H0L
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BU of 6h0l by Molmil
Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy
Descriptor: Lysozyme C
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-07-10
Release date:2018-09-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6GW9
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BU of 6gw9 by Molmil
Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser
Descriptor: CALCIUM ION, Concanavalin V, MAGNESIUM ION
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-06-22
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6GWA
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BU of 6gwa by Molmil
Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser
Descriptor: Concanavalin B
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-06-22
Release date:2018-09-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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