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1SHC
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BU of 1shc by Molmil
SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: SHC, TRKA RECEPTOR PHOSPHOPEPTIDE
Authors:Zhou, M.-M, Ravichandran, K.S, Olejniczak, E.T, Petros, A.M, Meadows, R.P, Sattler, M, Harlan, J.E, Wade, W.S, Burakoff, S.J, Fesik, S.W.
Deposit date:1996-03-27
Release date:1997-05-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
1TCE
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BU of 1tce by Molmil
SOLUTION NMR STRUCTURE OF THE SHC SH2 DOMAIN COMPLEXED WITH A TYROSINE-PHOSPHORYLATED PEPTIDE FROM THE T-CELL RECEPTOR, MINIMIZED AVERAGE STRUCTURE
Descriptor: PHOSPHOPEPTIDE OF THE ZETA CHAIN OF T CELL RECEPTOR, SHC
Authors:Zhou, M.-M, Meadows, R.P, Logan, T.M, Yoon, H.S, Wade, W.R, Ravichandran, K.S, Burakoff, S.J, Feisk, S.W.
Deposit date:1996-03-27
Release date:1997-05-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of the Shc SH2 domain complexed with a tyrosine-phosphorylated peptide from the T-cell receptor.
Proc.Natl.Acad.Sci.USA, 92, 1995
1IRS
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BU of 1irs by Molmil
IRS-1 PTB DOMAIN COMPLEXED WITH A IL-4 RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: IL-4 RECEPTOR PHOSPHOPEPTIDE, IRS-1
Authors:Zhou, M.-M, Huang, B, Olejniczak, E.T, Meadows, R.P, Shuker, S.B, Miyazaki, M, Trub, T, Shoelson, S.E, Feisk, S.W.
Deposit date:1996-03-22
Release date:1997-05-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structural basis for IL-4 receptor phosphopeptide recognition by the IRS-1 PTB domain.
Nat.Struct.Biol., 3, 1996
5RHD
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BU of 5rhd by Molmil
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
5S4J
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BU of 5s4j by Molmil
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
5S4I
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BU of 5s4i by Molmil
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
5S4H
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BU of 5s4h by Molmil
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
5S4F
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BU of 5s4f by Molmil
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
5S4G
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BU of 5s4g by Molmil
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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