7GFB
 
 | | 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-b3e365b9-1 (Mpro-x11612) | | Descriptor: | (4R)-6-chloro-N-(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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.609 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GI3
 | | 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-090737b9-1 (Mpro-P0041) | | Descriptor: | (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, CALCIUM 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 (2.1 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GFQ
 | | 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-b3e365b9-3 (Mpro-x11809) | | Descriptor: | (4R)-6-chloro-N-(4-methylpyridin-3-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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GFR
 | | 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 PET-UNK-3c72d439-1 (Mpro-x11810) | | Descriptor: | 2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-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
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7GG6
 | | 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-477dc5b7-2 (Mpro-x12171) | | Descriptor: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GG7
 | | 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 CHO-MSK-00c5269a-2 (Mpro-x12177) | | Descriptor: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)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 (1.51 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GGM
 | | 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-afd4d4fd-2 (Mpro-x12677) | | Descriptor: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-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 (1.839 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GGO
 | | 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-8b8a49e1-4 (Mpro-x12682) | | Descriptor: | (4R)-6-chloro-N-[(4R)-2-oxopiperidin-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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.687 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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5BJO
 | | Crystal structure of the Corn RNA aptamer in complex with DFHO, site-specific 5-iodo-U | | Descriptor: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Warner, K.D, Song, W, Filonov, G.S, Jaffrey, S.R, Ferre-D'Amare, A.R. | | Deposit date: | 2016-08-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A homodimer interface without base pairs in an RNA mimic of red fluorescent protein.
Nat. Chem. Biol., 13, 2017
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5BJP
 | | Crystal structure of the Corn RNA aptamer in complex with DFHO, iridium hexammine soak | | Descriptor: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, DIMETHYL SULFOXIDE, IRIDIUM ION, ... | | Authors: | Warner, K.D, Song, W, Filonov, G.S, Jaffrey, S.R, Ferre-D'Amare, A.R. | | Deposit date: | 2016-08-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | A homodimer interface without base pairs in an RNA mimic of red fluorescent protein.
Nat. Chem. Biol., 13, 2017
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7VU8
 | | L7-Tir domain with bound ligand | | Descriptor: | 2',3'- cyclic AMP, Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2021-11-01 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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3KWO
 | | Crystal Structure of Putative Bacterioferritin from Campylobacter jejuni | | Descriptor: | 1,4-BUTANEDIOL, ACETIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Gu, M, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-12-01 | | Release date: | 2010-01-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Crystal Structure of Putative Bacterioferritin from Campylobacter jejuni
To be Published
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7X5L
 | | Tir-dsDNA complex, the initial binding state | | Descriptor: | DNA (5'-D(*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*AP*TP*TP*AP*A)-3'), Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2022-03-04 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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7X5K
 | | Tir-dsDNA complex, the initial binding state | | Descriptor: | DNA (43-MER), Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2022-03-04 | | Release date: | 2022-06-08 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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7X5M
 | | Tir-dsDNA complex, the initial binding state | | Descriptor: | 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ... | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2022-03-05 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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3LXY
 | | Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis CO92 | | Descriptor: | 4-hydroxythreonine-4-phosphate dehydrogenase, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Nocek, B, Maltseva, N, Kwon, K, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-02-25 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis CO92
To be Published
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3LUS
 | | Crystal structure of a putative organic hydroperoxide resistance protein with molecule of captopril bound in one of the active sites from Vibrio cholerae O1 biovar eltor str. N16961 | | Descriptor: | L-CAPTOPRIL, Organic hydroperoxide resistance protein | | Authors: | Nocek, B, Maltseva, N, Makowska-Grzyska, M, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-02-18 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of a putative organic hydroperoxide resistance protein with molecule of captopril bound in one of the active sites from Vibrio cholerae O1 biovar eltor str. N16961
TO BE PUBLISHED
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3M6L
 | | Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate and calcium ion | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Nocek, B, Makowska-Grzyska, M, Maltseva, N, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-15 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate and calcium ion
To be Published
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3JR2
 | | X-ray crystal structure of the Mg-bound 3-keto-L-gulonate-6-phosphate decarboxylase from Vibrio cholerae O1 biovar El Tor str. N16961 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Hexulose-6-phosphate synthase SgbH, ... | | Authors: | Nocek, B, Maltseva, N, Stam, J, Anderson, W, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-09-08 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the Mg-bound 3-keto-L-gulonate-6-phosphate
decarboxylase from Vibrio cholerae O1 biovar El Tor str. N16961
To be Published
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3M34
 | | Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-08 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion
To be Published
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3M7I
 | | Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate(pyranose form) and magnesium ion | | Descriptor: | 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, MAGNESIUM ION, ... | | Authors: | Nocek, B, Makowska-Grzyska, M, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-16 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate(pyranose form) and magnesium ion
TO BE PUBLISHED
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3N9I
 | | Crystal structure of tryptophanyl-tRNA synthetase from Yersinia pestis CO92 | | Descriptor: | CALCIUM ION, GLYCEROL, Tryptophanyl-tRNA synthetase | | Authors: | Nocek, B, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-30 | | Release date: | 2010-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of tryptophanyl-tRNA synthetase from Yersinia pestis CO92
TO BE PUBLISHED
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3N2A
 | | Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase from Yersinia pestis CO92 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional folylpolyglutamate synthase/dihydrofolate synthase, ... | | Authors: | Nocek, B, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-17 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase from Yersinia pestis CO92
TO BE PUBLISHED
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6ACG
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6ACD
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