1YHI
 
 | | Uncyclized precursor structure of S65A Y66S R96A GFP variant | | Descriptor: | Green Fluorescent Protein | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2005-01-08 | | Release date: | 2005-02-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry(,).
Biochemistry, 44, 2005
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1YJ2
 | | Cyclized, non-dehydrated post-translational product for S65A Y66S H148G GFP variant | | Descriptor: | 1,2-ETHANEDIOL, Green Fluorescent Protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2005-01-13 | | Release date: | 2005-02-15 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry.
Biochemistry, 44, 2005
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1YJF
 | | Cyclized post-translational product for S65A Y66S (GFPhal) green fluorescent protein variant | | Descriptor: | Green Fluorescent Protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2005-01-14 | | Release date: | 2005-02-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry.
Biochemistry, 44, 2005
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1YHG
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1YHH
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2VAE
 | | Fast maturing red fluorescent protein, DsRed.T4 | | Descriptor: | 1,2-ETHANEDIOL, RED FLUORESCENT PROTEIN | | Authors: | Strongin, D.E, Bevis, B, Khuong, N, Downing, M.E, Strack, R.L, Sundaram, K, Glick, B.S, Keenan, R.J. | | Deposit date: | 2007-08-31 | | Release date: | 2007-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural Rearrangements Near the Chromophore Influence the Maturation Speed and Brightness of Dsred Variants.
Protein Eng.Des.Sel., 20, 2007
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3VDI
 | | Structure of the FMO protein from Pelodictyon phaeum | | Descriptor: | BACTERIOCHLOROPHYLL A, TETRAETHYLENE GLYCOL, bacteriochlorophyll A protein | | Authors: | Tronrud, D.E, Larson, C.R, Seng, C.O, Lauman, L, Matthies, H.J, Wen, J, Blankenship, R.E, Allen, J.P. | | Deposit date: | 2012-01-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Reinterpretation of the electron density at the site of the eighth bacteriochlorophyll in the FMO protein from Pelodictyon phaeum.
Photosynth.Res., 112, 2012
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2VAD
 | | Monomeric red fluorescent protein, DsRed.M1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, RED FLUORESCENT PROTEIN, ... | | Authors: | Strongin, D.E, Bevis, B, Khuong, N, Downing, M.E, Strack, R.L, Sundaram, K, Glick, B.S, Keenan, R.J. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Rearrangements Near the Chromophore Influence the Maturation Speed and Brightness of Dsred Variants.
Protein Eng.Des.Sel., 20, 2007
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1QXT
 | | Crystal structure of precyclized intermediate for the green fluorescent protein R96A variant (A) | | Descriptor: | green-fluorescent protein | | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-09-08 | | Release date: | 2003-09-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures
Proc.Natl.Acad.Sci.USA, 100
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1QY3
 | | Crystal structure of precyclized intermediate for the green fluorescent protein R96A variant (B) | | Descriptor: | green-fluorescent protein | | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-09-09 | | Release date: | 2003-09-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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1QYQ
 | | Crystal Structure of the cyclized S65G Y66G GFP variant | | Descriptor: | green-fluorescent protein | | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-09-11 | | Release date: | 2003-09-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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1QYO
 | | Anaerobic precylization intermediate crystal structure for S65G Y66G GFP variant | | Descriptor: | green-fluorescent protein | | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-09-11 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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2NB5
 | | NMR solution structure of PawS Derived Peptide 9 (PDP-9) | | Descriptor: | Preproalbumin PawS1 | | Authors: | Armstrong, D.A, Franke, B, Elliott, A.G, Mylne, J.S, Rosengren, K.J. | | Deposit date: | 2016-01-24 | | Release date: | 2016-06-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Natural structural diversity within a conserved cyclic peptide scaffold.
Amino Acids, 49, 2017
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3EOJ
 | | Fmo protein from Prosthecochloris Aestuarii 2K AT 1.3A Resolution | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, BACTERIOCHLOROPHYLL A, ... | | Authors: | Tronrud, D.E, Wen, J, Gay, L, Blankenship, R.E. | | Deposit date: | 2008-09-27 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria.
Photosynth.Res., 100, 2009
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4BCL
 | | FMO protein from Prosthecochloris aestuarii 2K at Room Temperature | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOCHLOROPHYLL A PROTEIN | | Authors: | Tronrud, D.E, Matthews, B.W. | | Deposit date: | 1998-04-17 | | Release date: | 1998-09-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Refinement of the Structure of a Water-Soluble Antenna Complex from Green Photosynthetic Bacteria by Incorporation of the Chemically Determined Amino Acid Sequence
Photosynthetic Reaction Center, 1, 1993
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1QYF
 | | Crystal structure of matured green fluorescent protein R96A variant | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, green-fluorescent protein | | Authors: | Barondeau, D.P, Putnam, C.D, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-09-10 | | Release date: | 2003-09-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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5S4J
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | | Descriptor: | 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3 | | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.124 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5S4I
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 | | Descriptor: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, Non-structural protein 3 | | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.131 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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4CV9
 | | MPS1 kinase with 3-aminopyridin-2-one inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-Methylpiperazin-1-yl)-N-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
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5S4H
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 | | Descriptor: | 1-carbamoylpiperidine-4-carboxylic acid, Non-structural protein 3 | | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.175 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5S4F
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003 | | Descriptor: | 1,8-naphthyridine, Non-structural protein 3, SULFATE ION | | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.131 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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5S4G
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF005 | | Descriptor: | Non-structural protein 3, SULFATE ION, [1,2,4]triazolo[4,3-a]pyridin-3-amine | | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | | Deposit date: | 2020-11-02 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.172 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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4CVA
 | | MPS1 kinase with 3-aminopyridin-2-one inhibitors | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
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4CV8
 | | MPS1 kinase with 3-aminopyridin-2-one inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK | | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
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5RHD
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193) | | Descriptor: | 1-[4-(methylsulfonyl)phenyl]piperazine, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-05-16 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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