9FS7
| Coxsackievirus A16 3C protease in C2 2 21 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-20 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Coxsackievirus A16 3C protease in C2 2 21 spacegroup To Be Published
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9BOO
| Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883 | Descriptor: | 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | Authors: | Chen, P, Arutyunova, E, Lemieux, M.J. | Deposit date: | 2024-05-05 | Release date: | 2024-08-07 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV. Jacs Au, 4, 2024
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9GDK
| Jumonji domain-containing protein 1C with crystallization epitope mutations L2440Y:G2444H | Descriptor: | Probable JmjC domain-containing histone demethylation protein 2C | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-08-05 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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6ZXZ
| Sarcin-Ricin Loop RNA from Ecoli with a A2670-2'-OCF3 modification | Descriptor: | POTASSIUM ION, SODIUM ION, Sarcin-Ricin Loop RNA from Ecoli with a A2670-2'-OCF3 modification | Authors: | Ennifar, E. | Deposit date: | 2020-07-30 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | 2'- O -Trifluoromethylated RNA - a powerful modification for RNA chemistry and NMR spectroscopy. Chem Sci, 11, 2020
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9GH3
| pleckstrin homology domain interacting protein with crystallization epitope mutations L1408N:R1409E | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-08-14 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
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9CYR
| Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K) | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | Deposit date: | 2024-08-02 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy. Biorxiv, 2024
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9GG6
| P301T type II tau filaments from human brain | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Schweighauser, M, Shi, Y, Murzin, A.G, Garringer, H.J, Vidal, R, Murrell, J.R, Erro, M.E, Seelaar, H, Ferrer, I, van Swieten, J.C, Ghetti, B, Scheres, S.H.W, Goedert, M. | Deposit date: | 2024-08-13 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Novel tau filament folds in individuals with MAPT mutations P301L and P301T. Biorxiv, 2024
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7LNY
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9C47
| TRRAP module of the human TIP60 complex | Descriptor: | E1A-binding protein p400, Transformation/transcription domain-associated protein | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | Deposit date: | 2024-06-03 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex. Science, 385, 2024
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9F48
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9J0U
| Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in F 41 3 2 space group | Descriptor: | Dat: predicted D-alanine aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O, Boyko, K.M. | Deposit date: | 2024-08-03 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica To Be Published
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9C66
| Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B | Descriptor: | 1,2-ETHANEDIOL, Protein enabled homolog, SULFATE ION, ... | Authors: | LaComb, L, Fedorov, E, Bonanno, J.B, Almo, S.C, Ghosh, A. | Deposit date: | 2024-06-07 | Release date: | 2024-08-28 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Insights into the Interaction Landscape of the EVH1 Domain of Mena. Biochemistry, 63, 2024
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8ZLP
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8ITN
| Crystal structure of USP47apo catalytic domain | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 47, ZINC ION | Authors: | Kim, E.E, Shin, S.C. | Deposit date: | 2023-03-22 | Release date: | 2024-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional characterization of USP47 reveals a hot spot for inhibitor design. Commun Biol, 6, 2023
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9CE9
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8ITP
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9B43
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7GLM
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-21 (Mpro-P1990) | Descriptor: | (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GMY
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-e69ed63d-13 (Mpro-P2242) | Descriptor: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GM1
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-2e8b2191-10 (Mpro-P2072) | Descriptor: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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9FA8
| Streptococcal Protein G antibody-binding domain C2 - variant 3 | Descriptor: | C2 variant 3 | Authors: | Jonnson, M, Ul Mushtaq, A, Nagy, T.M, von Witting, E, Lofblom, J, Nam, K, Wolf-Watz, M, Hober, S. | Deposit date: | 2024-05-10 | Release date: | 2024-10-02 | Method: | SOLUTION NMR | Cite: | Cooperative Folding as a Molecular Switch in an Evolved Antibody Binder. J.Biol.Chem., 2024
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7GNE
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MIK-ENA-5d9157e9-6 (Mpro-P2605) | Descriptor: | (4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GME
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-38 (Mpro-P2177) | Descriptor: | 3C-like proteinase, 4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GMU
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-90fd5f68-22 (Mpro-P2219) | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.737 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GNA
| Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-4483ae88-4 (Mpro-P2415) | Descriptor: | (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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