7K6E
 
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7K40
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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6W8S
 | | Crystal structure of metacaspase 4 from Arabidopsis | | Descriptor: | Metacaspase-4, SULFATE ION | | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.484 Å) | | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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6W8T
 | | Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium) | | Descriptor: | Metacaspase-4, SULFATE ION | | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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6W8R
 | | Crystal structure of metacaspase 4 C139A from Arabidopsis | | Descriptor: | Metacaspase-4, SULFATE ION | | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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4AD8
 | | Crystal structure of a deletion mutant of Deinococcus radiodurans RecN | | Descriptor: | DNA REPAIR PROTEIN RECN | | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | | Deposit date: | 2011-12-22 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.998 Å) | | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
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2X1K
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2JG1
 | | STRUCTURE OF Staphylococcus aureus D-TAGATOSE-6-PHOSPHATE KINASE with cofactor and substrate | | Descriptor: | 6-O-phosphono-beta-D-tagatofuranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Miallau, L, Hunter, W.N, McSweeney, S.M, Leonard, G.A. | | Deposit date: | 2007-02-07 | | Release date: | 2007-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Staphylococcus Aureus D-Tagatose-6-Phosphate Kinase Implicate Domain Motions in Specificity and Mechanism.
J.Biol.Chem., 282, 2007
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2JGV
 | | STRUCTURE OF Staphylococcus aureus D-TAGATOSE-6-PHOSPHATE KINASE in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TAGATOSE-6-PHOSPHATE KINASE | | Authors: | Miallau, L, Hunter, W.N, McSweeney, S.M, Leonard, G.A. | | Deposit date: | 2007-02-16 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Staphylococcus Aureus D-Tagatose-6-Phosphate Kinase Implicate Domain Motions in Specificity and Mechanism.
J.Biol.Chem., 282, 2007
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4ABY
 | | Crystal structure of Deinococcus radiodurans RecN head domain | | Descriptor: | DNA REPAIR PROTEIN RECN | | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | | Deposit date: | 2011-12-12 | | Release date: | 2012-12-12 | | Last modified: | 2012-12-26 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
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4ABX
 | | Crystal structure of Deinococcus radiodurans RecN coiled-coil domain | | Descriptor: | DNA REPAIR PROTEIN RECN | | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | | Deposit date: | 2011-12-12 | | Release date: | 2012-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
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6TGT
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6TB5
 | | The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h). | | Descriptor: | CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION | | Authors: | Cuypers, M.G, McSweeney, S, Romao, C.V, Mitchell, E.P. | | Deposit date: | 2019-10-31 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
To Be Published
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8ENA
 | | Thaumatin native-SAD structure determined at 5 keV with a helium environmet | | Descriptor: | Thaumatin-1 | | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | | Deposit date: | 2022-09-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
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8EN9
 | | TehA native-SAD structure determined at 5 keV with a helium environment | | Descriptor: | CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ... | | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | | Deposit date: | 2022-09-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
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6C5Y
 | | Crystal structure of thaumatin from microcrystals | | Descriptor: | Thaumatin-1 | | Authors: | Guo, G, Fuchs, M, Shi, W, Skinner, J, Berman, E, Ogata, C.M, Hendrickson, W.A, McSweeney, S, Liu, Q. | | Deposit date: | 2018-01-17 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Sample manipulation and data assembly for robust microcrystal synchrotron crystallography.
IUCrJ, 5, 2018
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4C30
 | | Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, form 2 | | Descriptor: | DNA HELICASE II, DNA STRAND FOR25, DNA STRAND REV25, ... | | Authors: | Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
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4C2U
 | | Crystal structure of Deinococcus radiodurans UvrD in complex with DNA, Form 1 | | Descriptor: | DNA HELICASE II, FOR25, GLYCEROL, ... | | Authors: | Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J. | | Deposit date: | 2013-08-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
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4B7W
 | | Ligand binding domain human hepatocyte nuclear factor 4alpha: Apo form | | Descriptor: | HEPATOCYTE NUCLEAR FACTOR 4-ALPHA | | Authors: | Dudasova, Z, Okvist, M, Kretova, M, Ondrovicova, G, Skrabana, R, LeGuevel, R, Salbert, G, Leonard, G, McSweeney, S, Barath, P. | | Deposit date: | 2012-08-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Fatty Acids are not Essential Structural Components of Hepatocyte Nuclear Factor 4Alpha
To be Published
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4C2T
 | | Crystal structure of full length Deinococcus radiodurans UvrD in complex with DNA | | Descriptor: | DNA HELICASE II, DNA STRAND FOR28, DNA STRAND REV28, ... | | Authors: | Stelter, M, Acajjaoui, S, McSweeney, S, Timmins, J. | | Deposit date: | 2013-08-20 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.997 Å) | | Cite: | Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
Plos One, 8, 2013
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7MNG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7MRR
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-05-08 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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2VPA
 | | High resolution crystal structure of the antibiotic resistance protein NimA from Deinococcus radiodurans | | Descriptor: | ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID | | Authors: | Leiros, H.-K.S, Tedesco, C, McSweeney, S.M. | | Deposit date: | 2008-02-27 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-Resolution Structure of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Acta Crystallogr.,Sect.F, 64, 2008
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2X1J
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2YEU
 | | Structural and functional insights of DR2231 protein, the MazG-like nucleoside triphosphate pyrophosphohydrolase from Deinococcus radiodurans, complex with Gd | | Descriptor: | DR2231, GADOLINIUM ATOM, GLYCEROL, ... | | Authors: | Goncalves, A.M.D, de Sanctis, D, McSweeney, S.M. | | Deposit date: | 2011-03-30 | | Release date: | 2011-07-06 | | Last modified: | 2011-09-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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