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8RJO
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BU of 8rjo by Molmil
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I1 intermediate state.
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, SULFATE ION, histidine kinase
Authors:Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P.
Deposit date:2023-12-21
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
8RJS
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BU of 8rjs by Molmil
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I5 intermediate state.
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, SULFATE ION, ...
Authors:Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P.
Deposit date:2023-12-21
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
8RJM
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BU of 8rjm by Molmil
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its Pfr state (I0a).
Descriptor: 1,2-ETHANEDIOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ...
Authors:Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P.
Deposit date:2023-12-21
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
8RJU
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BU of 8rju by Molmil
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I7 intermediate state.
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P.
Deposit date:2023-12-21
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
8RJR
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BU of 8rjr by Molmil
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I4 intermediate state.
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P.
Deposit date:2023-12-21
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
8RJT
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BU of 8rjt by Molmil
Serial femtosecond X-ray structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in I6 intermediate state.
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, CHLORIDE ION, SULFATE ION, ...
Authors:Sauthof, L, Schmidt, A, Szczepek, M, Brewster, A.S, Kern, J.F, Scheerer, P.
Deposit date:2023-12-21
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.
Sci Adv, 11, 2025
6UPP
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BU of 6upp by Molmil
Radiation Damage Test of PixJ Pb state crystals
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ...
Authors:Clinger, J.A, Miller, M.D, Burgie, E.S, Vierstra, R.D, Phillips Jr, G.N.
Deposit date:2019-10-18
Release date:2019-12-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UND
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BU of 6und by Molmil
Pseudomonas fluorescens isocyanide hydratase thioimidate intermediate at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
Release date:2019-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Ba
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
Deposit date:2022-01-28
Release date:2022-07-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX4
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BU of 7qx4 by Molmil
mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX6
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BU of 7qx6 by Molmil
mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX5
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BU of 7qx5 by Molmil
mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX7
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BU of 7qx7 by Molmil
mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
4WG1
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BU of 4wg1 by Molmil
Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL)
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P.
Deposit date:2014-09-17
Release date:2015-05-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
9CYD
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BU of 9cyd by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P4
Descriptor: (1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol, CHLORIDE ION, Papain-like protease, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-02
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
7SUT
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BU of 7sut by Molmil
Light harvesting phycobiliprotein HaPE645 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED), 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-18
Release date:2023-10-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
9CYB
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BU of 9cyb by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P1
Descriptor: Papain-like protease, SUCCINIC ACID, [(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-01
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYK
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BU of 9cyk by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P24
Descriptor: ACETIC ACID, GLYCEROL, Papain-like protease, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-02
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYC
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BU of 9cyc by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P2
Descriptor: (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine, ACETIC ACID, GLYCEROL, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchel, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-01
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
8RNZ
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BU of 8rnz by Molmil
Metal-binding domain 3 of copper-transporting ATPase RAN1 from Arabidopsis thaliana
Descriptor: Copper-transporting ATPase RAN1
Authors:Minges, A, Dluhosch, D, Groth, G.
Deposit date:2024-01-11
Release date:2025-01-29
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Exploring the Role of Individual Metal Binding Domains (MBDs) in Soluble and Membrane-bound Copper Chaperones for Metal Transport and Delivery to the ETR1 Ethylene Receptor in Arabidopsis thaliana
To Be Published, 2025

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PDB entries from 2025-07-09

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