8F6T
| Cryo-EM structure of alkane 1-monooxygenase AlkB-AlkG complex from Fontimonas thermophila | Descriptor: | Alkane 1-monooxygenase, DODECANE, FE (III) ION | Authors: | Chai, J, Guo, G, McSweeney, S, Shanklin, J, Liu, Q. | Deposit date: | 2022-11-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural basis for enzymatic terminal C-H bond functionalization of alkanes. Nat.Struct.Mol.Biol., 30, 2023
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2JH3
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7MHF
| Crystal 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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7MHG
| Crystal 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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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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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: | 2023-10-18 | 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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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: | 2023-10-18 | 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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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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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: | 2017-10-04 | 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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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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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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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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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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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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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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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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1ZIQ
| Deuterated gammaE crystallin in D2O solvent | Descriptor: | ACETATE ION, Gamma crystallin E | Authors: | Artero, J.B, Hartlein, M, McSweeney, S, Timmins, P. | Deposit date: | 2005-04-27 | Release date: | 2005-11-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A comparison of refined X-ray structures of hydrogenated and perdeuterated rat gammaE-crystallin in H2O and D2O. Acta Crystallogr.,Sect.D, 61, 2005
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1ZIE
| Hydrogenated gammaE crystallin in D2O solvent | Descriptor: | ACETATE ION, Gamma crystallin E | Authors: | Artero, J.B, Hartlein, M, McSweeney, S, Timmins, P. | Deposit date: | 2005-04-27 | Release date: | 2005-11-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A comparison of refined X-ray structures of hydrogenated and perdeuterated rat gammaE-crystallin in H2O and D2O. Acta Crystallogr.,Sect.D, 61, 2005
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1ZGT
| Structure of hydrogenated rat gamma E crystallin in H2O | Descriptor: | ACETATE ION, Gamma crystallin E | Authors: | Artero, J.B, Hartlein, M, McSweeney, S, Timmins, P. | Deposit date: | 2005-04-22 | Release date: | 2005-11-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A comparison of refined X-ray structures of hydrogenated and perdeuterated rat gammaE-crystallin in H2O and D2O. Acta Crystallogr.,Sect.D, 61, 2005
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1ZIR
| Deuterated gammaE crystallin in H2O solvent | Descriptor: | ACETATE ION, Gamma crystallin E | Authors: | Artero, J.B, Hartlein, M, McSweeney, S, Timmins, P. | Deposit date: | 2005-04-27 | Release date: | 2005-11-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A comparison of refined X-ray structures of hydrogenated and perdeuterated rat gammaE-crystallin in H2O and D2O. Acta Crystallogr.,Sect.D, 61, 2005
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