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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
8TDQ
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BU of 8tdq by Molmil
SFX-XFEL structure of CYP121 cocrystallized with substrate cYY
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A.
Deposit date:2023-07-04
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
8TDP
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BU of 8tdp by Molmil
Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ...
Authors:Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A.
Deposit date:2023-07-04
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
4C7V
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BU of 4c7v by Molmil
Apo Transketolase from Lactobacillus salivarius at 2.2A resolution
Descriptor: TRANSKETOLASE
Authors:Lobley, C.M.C, Lukacik, P, Bumann, M, Aller, P, Douangamath, A, O'Toole, P.W, Walsh, M.A.
Deposit date:2013-09-26
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High Resolution Crystal Structures of Lactobacillus Salivarius Transketolase in the Presence and Absence of Thiamine Pyrophosphate
Acta Crystallogr.,Sect.F, 71, 2015
4C7X
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BU of 4c7x by Molmil
Thiamine Pyrophosphate Bound Transketolase from Lactobacillus salivarius at 2.2A resolution
Descriptor: MAGNESIUM ION, THIAMINE DIPHOSPHATE, TRANSKETOLASE
Authors:Lobley, C.M.C, Lukacik, P, Bumann, M, Aller, P, Douangamath, A, O'Toole, P.W, Walsh, M.A.
Deposit date:2013-09-26
Release date:2014-10-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:High Resolution Crystal Structures of Lactobacillus Salivarius Transketolase in the Presence and Absence of Thiamine Pyrophosphate
Acta Crystallogr.,Sect.F, 71, 2015
1B2I
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BU of 1b2i by Molmil
KRINGLE 2 DOMAIN OF HUMAN PLASMINOGEN: NMR SOLUTION STRUCTURE OF TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID (AMCHA) COMPLEX
Descriptor: PROTEIN (PLASMINOGEN), TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:Marti, D.N, Schaller, J, Llinas, M.
Deposit date:1999-09-24
Release date:1999-11-19
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the plasminogen kringle 2-AMCHA complex: 3(1)-helix in homologous domains.
Biochemistry, 38, 1999
9FKD
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BU of 9fkd by Molmil
Progesterone-bound DB3 Fab in complex with computationally designed DBPro1156_2 protein binder
Descriptor: Anti-kappa Fab Heavy Chain, Anti-kappa Fab Light Chain, DB3 Fab Heavy chain, ...
Authors:Pacesa, M, Marchand, A, Correia, B.E.
Deposit date:2024-06-03
Release date:2024-10-30
Last modified:2025-03-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Targeting protein-ligand neosurfaces with a generalizable deep learning tool.
Nature, 639, 2025
1B33
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BU of 1b33 by Molmil
STRUCTURE OF LIGHT HARVESTING COMPLEX OF ALLOPHYCOCYANIN ALPHA AND BETA CHAINS/CORE-LINKER COMPLEX AP*LC7.8
Descriptor: ALLOPHYCOCYANIN, ALPHA CHAIN, BETA CHAIN, ...
Authors:Reuter, W, Wiegand, G, Huber, R, Than, M.E.
Deposit date:1998-12-15
Release date:1999-02-23
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis at 2.2 A of orthorhombic crystals presents the asymmetry of the allophycocyanin-linker complex, AP.LC7.8, from phycobilisomes of Mastigocladus laminosus.
Proc.Natl.Acad.Sci.USA, 96, 1999
8S1X
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BU of 8s1x by Molmil
Crystal structure of Actinonin-bound PDF1 and the computationally designed DBAct553_1 protein binder
Descriptor: ACTINONIN, DBAct553_1, FORMIC ACID, ...
Authors:Marchand, A, Pacesa, M, Correia, B.E.
Deposit date:2024-02-16
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Targeting protein-ligand neosurfaces with a generalizable deep learning tool.
Nature, 639, 2025

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