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4ETA
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BU of 4eta by Molmil
Lysozyme, room temperature, 400 kGy dose
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
5FJB
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BU of 5fjb by Molmil
Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site
Descriptor: GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P.
Deposit date:2015-10-07
Release date:2016-03-16
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site.
Nat.Commun., 7, 2016
4ET9
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BU of 4et9 by Molmil
Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ET8
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BU of 4et8 by Molmil
Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
8P4L
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BU of 8p4l by Molmil
Beta-N-acetylgalactosaminidase from Niabella aurantiaca
Descriptor: Beta-N-acetylgalactosaminidase
Authors:Fjermedal, S, Wilkens, C.
Deposit date:2023-05-22
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Characterization and structural study of a novel beta-N-acetylgalactosaminidase from Niabella aurantiaca.
Febs J., 291, 2024
8DRU
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BU of 8dru by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp7-nsp8 (C7) cut site sequence
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp7-nsp8 (C7) cut site, PENTAETHYLENE GLYCOL, ...
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DRY
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BU of 8dry by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp12-nsp13 (C12) cut site sequence
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp12-nsp13 (C12) cut site
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DS0
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BU of 8ds0 by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp14-nsp15 (C14) cut site sequence (form 2)
Descriptor: 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DRZ
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BU of 8drz by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp13-nsp14 (C13) cut site sequence
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DS2
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BU of 8ds2 by Molmil
Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2)
Descriptor: 3C-like proteinase nsp5, GLYCEROL, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DS1
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BU of 8ds1 by Molmil
Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence
Descriptor: 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8RBN
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BU of 8rbn by Molmil
Neutron structure of alginate lysase PsPL7C from Paradendryphiella salina soaked with penta-mannuronic acid
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Meilleur, F, Morth, J.P, Wilkens, C.
Deposit date:2023-12-04
Release date:2024-01-17
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:Neutron structure of alginate lysase PsPL7C from Paradendryphiella salina soaked with penta-mannuronic acid
To Be Published
8RBR
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BU of 8rbr by Molmil
Neutron structure of alginate lyase PsPL7C from Paradendryphiella salina
Descriptor: Alginate lyase
Authors:Meilleur, F, Morth, J.P, Wilkens, C.
Deposit date:2023-12-04
Release date:2024-01-17
Method:NEUTRON DIFFRACTION (1.8 Å)
Cite:Neutron structure of alginate lyase PsPL7C from Paradendryphiella salina
To Be Published
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
Deposit date:2023-05-23
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
7NCZ
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BU of 7ncz by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-mannuronic acid
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7), beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-01-29
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with hexa-mannuronic acid
To Be Published
7NL3
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BU of 7nl3 by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7)
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F
To Be Published
7NDE
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BU of 7nde by Molmil
Trichoderma parareesei PL7A beta-glucuronan lyase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucuronan lyase
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-01
Release date:2022-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Glucuronan lyases from family PL7 use a Tyr/Tyr syn beta-elimination catalytic mechanism for glucuronan breakdown.
Chem.Commun.(Camb.), 60, 2024
7NM6
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BU of 7nm6 by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-mannuronic acid
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7), beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Fredslund, F, Welner, D.H, Wilkens, C.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-mannuronic acid
To Be Published
8DRX
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BU of 8drx by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp10-nsp11 (C10) cut site sequence (form 2)
Descriptor: Fusion protein of 3C-like proteinase nsp5 and nsp10-nsp11 (C10) cut site, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DRS
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BU of 8drs by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence
Descriptor: 3C-like proteinase nsp5
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DRT
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BU of 8drt by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence (form 2)
Descriptor: 3C-like proteinase nsp5
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
7NPP
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BU of 7npp by Molmil
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with penta-mannuronic acid
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alginate lyase (PL7), beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Fredslund, F, Welner, D.W, Wilkens, C.
Deposit date:2021-02-28
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with penta-mannuronic acid
To Be Published
8DRR
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BU of 8drr by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp4-nsp5 (C4) cut site sequence
Descriptor: 3C-like proteinase nsp5, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DRW
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BU of 8drw by Molmil
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp9-nsp10 (C9) cut site sequence
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp9-nsp10 (C9) cut site, PENTAETHYLENE GLYCOL, ...
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022

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數據於2024-07-24公開中

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