9RJ0
 
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea, 3C-like proteinase nsp5, SODIUM ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.709 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RIX
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | (4~{R})-~{N}-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RJF
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione, 3C-like proteinase nsp5 | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RIZ
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | (4~{R})-~{N}-(3-cyclopropylphenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-1,8-naphthyridine-4-carboxamide, 3C-like proteinase nsp5 | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.734 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RJ5
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea, 3C-like proteinase nsp5 | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RJ7
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4-fluoranyl-~{N}-(pyridin-3-ylmethyl)-2,3-dihydroindole-1-carboxamide, SODIUM ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RJR
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5, SODIUM ION, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RJ8
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4-fluoranyl-~{N}-(3-phenoxypropyl)-~{N}-(1,2-thiazol-5-ylmethyl)-2,3-dihydroindole-1-carboxamide | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.433 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RIY
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.788 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RJ3
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | (2~{R})-1-[3-(aminomethyl)-1,2,4-triazol-1-yl]-3-[2,5-bis(chloranyl)phenoxy]propan-2-ol, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-12 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.618 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RI8
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4-(azetidin-1-yl)-2-isoquinolin-4-yl-thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-11 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RHX
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9RID
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | (2~{R})-2-[2-(benzotriazol-1-yl)ethanoyl-methyl-amino]-2-(3-fluorophenyl)ethanamide, 3C-like proteinase nsp5, SODIUM ION, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-11 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RI0
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9RI1
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | (4~{R})-~{N}-(3,4-dipropoxyphenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-10 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.309 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RHS
 | | Structure of 3CL protease with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, ~{N}-(4-bromanyl-3-nitro-phenyl)-2-(1,2,3-triazol-1-yl)ethanamide | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-10 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.638 Å) | | Cite: | SARS-CoV-2 3CL protease with a bound inhibitor
To Be Published
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9RHT
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9RI3
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-11 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.723 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RI4
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 2-azanyl-~{N}-[(1~{R},2~{S})-2-(4-chloranyl-3-fluoranyl-phenyl)cyclopropyl]-6-nitro-benzamide, 3C-like proteinase nsp5, SODIUM ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-11 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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9RI5
 | | SARS-CoV-2 with a bound inhibitor | | Descriptor: | 3C-like proteinase nsp5, SULFATE ION, ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide | | Authors: | Mac Sweeney, A. | | Deposit date: | 2025-06-11 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.634 Å) | | Cite: | SARS-CoV-2 with a bound inhibitor
To Be Published
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1DLK
 | | CRYSTAL STRUCTURE ANALYSIS OF DELTA-CHYMOTRYPSIN BOUND TO A PEPTIDYL CHLOROMETHYL KETONE INHIBITOR | | Descriptor: | CHLORIDE ION, Thrombin heavy chain, Thrombin light chain, ... | | Authors: | Mac Sweeney, A, Birrane, G, Walsh, M.A, O'Connell, T, Malthouse, J.P.G. | | Deposit date: | 1999-12-10 | | Release date: | 2000-05-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of delta-chymotrypsin bound to a peptidyl chloromethyl ketone inhibitor.
Acta Crystallogr.,Sect.D, 56, 2000
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1Q0Q
 | | Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate | | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-17 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1Q0H
 | | Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ... | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-16 | | Release date: | 2004-07-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1Q0L
 | | Crystal structure of DXR in complex with fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-16 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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6G3R
 | | Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited. | | Descriptor: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | | Authors: | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | | Deposit date: | 2018-03-26 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
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