7GHJ
 
 | | 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 SIM-SYN-f15aaa3a-1 (Mpro-x3348) | | Descriptor: | 1-[4-(diphenylmethyl)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 (1.526 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GHK
 | | 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 DAR-DIA-eace69ff-36 (Mpro-x3351) | | Descriptor: | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine, 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 (1.52 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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6OFJ
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8SJQ
 | | [3T16] Self-assembling right-handed tensegrity triangle with 16 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*AP*TP*GP*CP*CP*TP*GP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*TP*GP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*TP*GP*GP*AP*CP*AP*GP*CP*G)-3'), ... | | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (6.19 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7GHL
 | | 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 GAB-REV-70cc3ca5-18 (Mpro-x3366) | | Descriptor: | 2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-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 (1.41 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GHN
 | | 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-f2460aef-1 (Mpro-P0009) | | 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 (1.73 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8SJR
 | | [3T17] Self-assembling right-handed tensegrity triangle with 17 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*AP*GP*CP*CP*TP*GP*AP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*TP*GP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*TP*AP*TP*TP*CP*AP*CP*CP*AP*CP*GP*AP*T)-3'), ... | | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (5.25 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7GHQ
 | | 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-64a710fa-1 (Mpro-P0016) | | 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 (1.72 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8SJU
 | | [4T17] Self-assembling right-handed four-turn tensegrity triangle with 17 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (25-MER), DNA (5'-D(*GP*AP*AP*AP*AP*AP*CP*AP*CP*TP*GP*CP*CP*TP*GP*AP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(P*GP*CP*GP*GP*TP*AP*TP*TP*CP*AP*CP*CP*AP*CP*GP*AP*T)-3'), ... | | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (7.14 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7GHP
 | | 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-4f474d93-1 (Mpro-P0012) | | Descriptor: | (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-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 (1.54 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8SJM
 | | [3T12] Self-assembling left-handed tensegrity triangle with 12 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*AP*TP*CP*GP*CP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*AP*TP*GP*TP*GP*GP*CP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*AP*TP*GP*CP*GP*AP*G)-3'), ... | | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (8.08 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6YAP
 | | Crystal structure of ZmCKO4a in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 4, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2020-03-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
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8SJN
 | | [3T13] Self-assembling left-handed tensegrity triangle with 13 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*AP*TP*CP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*TP*GP*TP*GP*GP*CP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*AP*GP*CP*GP*AP*G)-3'), ... | | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (7.3 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SL5
 | | [2T13] Self-assembling left-handed two-turn tensegrity triangle with 13 interjunction base pairs and R3 symmetry | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*A)-3'), ... | | Authors: | Vecchioni, S, Janowski, J, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-21 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (6.55 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SCA
 | | Rec3 Domain from S. pyogenes Cas9 | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | | Authors: | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | | Deposit date: | 2023-04-05 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
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8GMH
 | | Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4 | | Descriptor: | 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ... | | Authors: | Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C. | | Deposit date: | 2023-03-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8G82
 | | Vancomycin bound to D-Ala-D-Ser | | Descriptor: | BORIC ACID, D-Ala-D-Ser, DIMETHYL SULFOXIDE, ... | | Authors: | Loll, P.J, Park, J.H. | | Deposit date: | 2023-02-17 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of vancomycin bound to the resistance determinant D-alanine-D-serine.
Iucrj, 11, 2024
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6YA8
 | | Cdc7-Dbf4 bound to ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase, ... | | Authors: | Dick, S.D, Cherepanov, P. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase.
Structure, 28, 2020
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4TZD
 | | Crystal structure of Canavalia maritima lectin (ConM) complexed with interleukin - 1 beta primer | | Descriptor: | Concanavalin-A, DNA (5'-D(P*CP*G)-3'), DNA (5'-D(P*TP*C)-3') | | Authors: | Vieira, D.B.H.A, Delatorre, P, Rocha, B.A.M, Teixeira, C.S, Silva-Filho, J.C, Lima, E.M, Nobrega, R.B, Cavada, B.S. | | Deposit date: | 2014-07-10 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of Canavalia maritima lectin (ConM) complexed with interleukin 1 - beta primer
To Be Published
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5MHJ
 | | ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter | | Descriptor: | ACETIC ACID, CHLORIDE ION, DNA (5'-D(P*CP*GP*AP*TP*CP*GP*TP*CP*C)-3'), ... | | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | | Deposit date: | 2016-11-24 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.117 Å) | | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
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8SJT
 | | [3T14+10] Self-assembling left-handed tensegrity triangle with 14 interjunction base pairs and a 10 bp linker with R3 symmetry | | Descriptor: | DNA (5'-D(*AP*CP*CP*TP*CP*CP*TP*GP*AP*GP*GP*TP*CP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*AP*CP*TP*CP*TP*GP*CP*TP*A)-3'), DNA (5'-D(*GP*TP*TP*AP*GP*CP*AP*GP*AP*G)-3'), ... | | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (9.38 Å) | | Cite: | Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7SB8
 | | d(GA(CGA)5) parallel-stranded homo-duplex | | Descriptor: | COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ... | | Authors: | Luteran, E.M, Paukstelis, P.J. | | Deposit date: | 2021-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.317 Å) | | Cite: | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands.
Acta Crystallogr D Struct Biol, 78, 2022
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8A1I
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6ENJ
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6OVJ
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