2JH3
 
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7MHL
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHM
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5302 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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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: | 2024-10-09 | | 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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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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7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | 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: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 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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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.79 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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2W4E
 | | Structure of an N-terminally truncated Nudix hydrolase DR2204 from Deinococcus radiodurans | | Descriptor: | MUTT/NUDIX FAMILY PROTEIN | | Authors: | Goncalves, A.M.D, Fioravanti, E, Stelter, M, McSweeney, S. | | Deposit date: | 2008-11-25 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of an N-Terminally Truncated Nudix Hydrolase Dr2204 from Deinococcus Radiodurans.
Acta Crystallogr.,Sect.F, 65, 2009
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3I6J
 | | Ribonuclease A by Classical hanging drop method after high X-Ray dose on ESRF ID14-2 beamline | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-07-07 | | Release date: | 2010-07-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
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3I2Y
 | | Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (0.995 Å) | | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
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3I30
 | | Proteinase K by Classical hanging drop Method after high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (0.992 Å) | | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
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3I37
 | | Proteinase K by LB Nanotemplate Method before high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (0.995 Å) | | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To Be Published
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3I6H
 | | Ribonuclease A by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-07-07 | | Release date: | 2010-07-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
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3I6F
 | | Ribonuclease A by Classical hanging drop method before high X-Ray dose on ESRF ID14-2 beamline | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-07-07 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
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3I67
 | | Ribonuclease A by LB nanotemplate method after high X-Ray dose on ESRF ID14-2 beamline | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-07-06 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
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1SHQ
 | | Crystal structure of shrimp alkaline phosphatase with magnesium in M3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, SULFATE ION, ... | | Authors: | de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E. | | Deposit date: | 2004-02-26 | | Release date: | 2004-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase.
Acta Crystallogr.,Sect.D, 60, 2004
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1SHN
 | | Crystal structure of shrimp alkaline phosphatase with phosphate bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, SULFATE ION, ... | | Authors: | de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E. | | Deposit date: | 2004-02-26 | | Release date: | 2004-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase.
Acta Crystallogr.,Sect.D, 60, 2004
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2V1C
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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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7MHJ
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity | | Descriptor: | 3C-like proteinase, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.0005 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHP
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity | | Descriptor: | 3C-like proteinase, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.0005 Å) | | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
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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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1I4U
 | | THE C1 SUBUNIT OF ALPHA-CRUSTACYANIN | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN, SULFATE ION | | Authors: | Gordon, E.J, Leonard, G.A, McSweeney, S, Zagalsky, P.F. | | Deposit date: | 2001-02-23 | | Release date: | 2001-09-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The C1 subunit of alpha-crustacyanin: the de novo phasing of the crystal structure of a 40 kDa homodimeric protein using the anomalous scattering from S atoms combined with direct methods.
Acta Crystallogr.,Sect.D, 57, 2001
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