5MP0
| Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain | Descriptor: | 1,2-ETHANEDIOL, m7GpppN-mRNA hydrolase | Authors: | Mathea, S, Salah, E, Velupillai, S, Tallant, C, Pike, A.C.W, Bushell, S.R, Faust, B, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Huber, K. | Deposit date: | 2016-12-15 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain To Be Published
|
|
5NKS
| Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4) | Descriptor: | Dihydropyrimidinase-related protein 4 | Authors: | Mathea, S, Elkins, J.M, Strain-Damerell, C, Salah, E, Borkowska, O, Chalk, R, Burgess-Brown, N, Pinkas, D.M, von Delft, F, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2017-03-31 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4) To Be Published
|
|
2FCF
| The crystal structure of the 7th PDZ domain of MPDZ (MUPP-1) | Descriptor: | Multiple PDZ domain protein | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-12-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
|
|
2FNE
| The crystal structure of the 13th PDZ domain of MPDZ | Descriptor: | Multiple PDZ domain protein | Authors: | Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-11 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
|
|
2HE4
| The crystal structure of the second PDZ domain of human NHERF-2 (SLC9A3R2) interacting with a mode 1 PDZ binding motif | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2 | Authors: | Papagrigoriou, E, Elkins, J.M, Berridge, G, Gileady, O, Colebrook, S, Gileadi, C, Salah, E, Savitsky, P, Pantic, N, Gorrec, F, Bunkoczi, G, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Sci., 16, 2007
|
|
2IHD
| Crystal structure of Human Regulator of G-protein signaling 8, RGS8 | Descriptor: | CHLORIDE ION, Regulator of G-protein signaling 8 | Authors: | Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Salah, E, Gileadi, C, Burgess, N, Bhatia, C, Gileadi, O, Bray, J, Elkins, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-26 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
2JJD
| Protein Tyrosine Phosphatase, Receptor Type, E isoform | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | Authors: | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2008-03-31 | Release date: | 2008-04-08 | Last modified: | 2012-06-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.), 136, 2009
|
|
2PKT
| Crystal structure of the human CLP-36 (PDLIM1) bound to the C-terminal peptide of human alpha-actinin-1 | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Uppenberg, J, Gileadi, C, Elkins, J, Bray, J, Burgess-Brown, N, Salah, E, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-18 | Release date: | 2007-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms Protein Sci., 19, 2010
|
|
2Q3G
| Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7 | Authors: | Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-30 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms Protein Sci., 19, 2010
|
|
2UV2
| Crystal Structure Of Human Ste20-Like Kinase Bound To 4-(4-(5- Cyclopropyl-1H-pyrazol-3-ylamino)-quinazolin-2-ylamino)-phenyl)- acetonitrile | Descriptor: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE, THIOCYANATE ION, ... | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, Debreczeni, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-03-08 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
|
|
2V1W
| Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ... | Authors: | Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | Deposit date: | 2007-05-30 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci., 19, 2010
|
|
2UZC
| Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 | Authors: | Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. | Deposit date: | 2007-04-27 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms. Protein Sci., 19, 2010
|
|
2V62
| Structure of vaccinia-related kinase 2 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, SERINE/THREONINE-PROTEIN KINASE VRK2, ... | Authors: | Bunkoczi, G, Eswaran, J, Cooper, C, Fedorov, O, Keates, T, Rellos, P, Salah, E, Savitsky, P, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | Deposit date: | 2007-07-13 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the Pseudokinase Vrk3 Reveals a Degraded Catalytic Site, a Highly Conserved Kinase Fold, and a Putative Regulatory Binding Site. Structure, 17, 2009
|
|
2WH5
| Crystal structure of human acyl-CoA binding domain 4 complexed with stearoyl-CoA | Descriptor: | ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4, COENZYME A, STEARIC ACID, ... | Authors: | Yue, W.W, Shafqat, N, Ugochukwu, E, Savitsky, P, Johansson, C, Salah, E, Roos, A.K, Chaikuad, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-04-30 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Human Acyl-Coa Binding Domain 4 To be Published
|
|
4A63
| Crystal structure of the p73-ASPP2 complex at 2.6A resolution | Descriptor: | ACETATE ION, APOPTOSIS STIMULATING OF P53 PROTEIN 2, TUMOUR PROTEIN 73, ... | Authors: | Canning, P, Sharpe, T, Krojer, T, Savitsky, P, Cooper, C.D.O, Salah, E, Keates, T, Muniz, J, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C, Bountra, C, Edwards, A, Bullock, A.N. | Deposit date: | 2011-10-31 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural Basis for Aspp2 Recognition by the Tumor Suppressor P73. J.Mol.Biol., 423, 2012
|
|
4CRS
| Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE N2, ... | Authors: | Mathea, S, Elkins, J.M, Shrestha, L, Szklarz, M, Tallant, C, Newman, J.A, Cooper, C.D, Shrestha, B, Tumber, A, Cocking, R, Salah, E, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2014-02-28 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of Pkn2 To be Published
|
|
7GB5
| 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 EDG-MED-0da5ad92-2 (Mpro-x10201) | Descriptor: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide, 3C-like proteinase, 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 (1.261 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GB3
| 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 DAV-CRI-3edb475e-6 (Mpro-x10172) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide | 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 (1.379 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GGZ
| 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-3c65e9ce-2 (Mpro-x12719) | Descriptor: | 2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide, 3C-like proteinase, 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 (1.46 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GBH
| 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-49816e9b-2 (Mpro-x10334) | Descriptor: | 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide, 3C-like proteinase, 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 (1.581 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GH0
| 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-ce760d3f-4 (Mpro-x12723) | Descriptor: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, 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: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GBT
| 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 BEN-DND-7e92b6ca-2 (Mpro-x10419) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide | 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 (1.25 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GHH
| 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 TOB-UNK-c2aba166-1 (Mpro-x3325) | Descriptor: | 1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, 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 (1.56 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GCJ
| 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-590ac91e-19 (Mpro-x10626) | Descriptor: | (1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide, 3C-like proteinase, 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 (1.34 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|
7GHI
| 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 DAN-PUR-6788a628-2 (Mpro-x3333) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide | 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 (1.65 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
|
|