7JYC
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![BU of 7jyc by Molmil](/molmil-images/mine/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
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![BU of 7k6d by Molmil](/molmil-images/mine/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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7MNG
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![BU of 7mng by Molmil](/molmil-images/mine/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
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![BU of 7mrr by Molmil](/molmil-images/mine/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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1O7U
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![BU of 1o7u by Molmil](/molmil-images/mine/1o7u) | Radiation induced tryparedoxin-I | Descriptor: | TRYPAREDOXIN | Authors: | Alphey, M.S, Bond, C.S, McSweeney, S.M, Hunter, W.N. | Deposit date: | 2002-11-14 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function J.Biol.Chem., 278, 2003
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1O7D
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![BU of 1o7d by Molmil](/molmil-images/mine/1o7d) | The structure of the bovine lysosomal a-mannosidase suggests a novel mechanism for low pH activation | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Heikinheimo, P, Helland, R, Leiros, H.S, Leiros, I, Karlsen, S, Evjen, G, Ravelli, R, Schoehn, G, Ruigrok, R, Tollersrud, O.-K, Mcsweeney, S, Hough, E. | Deposit date: | 2002-10-30 | Release date: | 2003-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure of Bovine Lysosomal Alpha-Mannosidase Suggests a Novel Mechanism for Low-Ph Activation J.Mol.Biol., 327, 2003
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1UTH
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![BU of 1uth by Molmil](/molmil-images/mine/1uth) | DntR from Burkholderia sp. strain DNT in complex with Thiocyanate | Descriptor: | LYSR-TYPE REGULATORY PROTEIN, THIOCYANATE ION | Authors: | Smirnova, I.A, Dian, C, Leonard, G.A, McSweeney, S, Birse, D, Brzezinski, P. | Deposit date: | 2003-12-09 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of a Bacterial Biosensor for Nitrotoluenes: The Crystal Structure of the Transcriptional Regulator Dntr J.Mol.Biol., 340, 2004
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1N7A
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![BU of 1n7a by Molmil](/molmil-images/mine/1n7a) | RIP-Radiation-damage Induced Phasing | Descriptor: | POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE | Authors: | Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S. | Deposit date: | 2002-11-13 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures Structure, 11, 2003
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2V1C
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![BU of 2v1c by Molmil](/molmil-images/mine/2v1c) | |
1V0U
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![BU of 1v0u by Molmil](/molmil-images/mine/1v0u) | |
2WW4
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![BU of 2ww4 by Molmil](/molmil-images/mine/2ww4) | a triclinic crystal form of E. coli 4-diphosphocytidyl-2C-methyl-D- erythritol kinase | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL | Authors: | Kalinowska-Tluscik, J, Miallau, L, Gabrielsen, M, Leonard, G.A, McSweeney, S.M, Hunter, W.N. | Deposit date: | 2009-10-21 | Release date: | 2010-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Triclinic Crystal Form of Escherichia Coli 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase and Reassessment of the Quaternary Structure. Acta Crystallogr.,Sect.F, 66, 2010
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1N7B
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![BU of 1n7b by Molmil](/molmil-images/mine/1n7b) | RIP-Radiation-damage Induced Phasing | Descriptor: | POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE | Authors: | Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S. | Deposit date: | 2002-11-13 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures Structure, 11, 2003
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1N6X
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![BU of 1n6x by Molmil](/molmil-images/mine/1n6x) | RIP-phasing on Bovine Trypsin | Descriptor: | BENZYLAMINE, CALCIUM ION, GLYCEROL, ... | Authors: | Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S. | Deposit date: | 2002-11-12 | Release date: | 2003-03-04 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures Structure, 11, 2003
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1N6Y
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![BU of 1n6y by Molmil](/molmil-images/mine/1n6y) | RIP-phasing on Bovine Trypsin | Descriptor: | BENZYLAMINE, CALCIUM ION, GLYCEROL, ... | Authors: | Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S. | Deposit date: | 2002-11-12 | Release date: | 2003-03-04 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures Structure, 11, 2003
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1V0R
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![BU of 1v0r by Molmil](/molmil-images/mine/1v0r) | |
1V0V
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![BU of 1v0v by Molmil](/molmil-images/mine/1v0v) | |
1V0Y
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![BU of 1v0y by Molmil](/molmil-images/mine/1v0y) | |
1V0S
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![BU of 1v0s by Molmil](/molmil-images/mine/1v0s) | |
1V0W
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![BU of 1v0w by Molmil](/molmil-images/mine/1v0w) | |
1V0T
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![BU of 1v0t by Molmil](/molmil-images/mine/1v0t) | |
1SHQ
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![BU of 1shq by Molmil](/molmil-images/mine/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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2W4E
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![BU of 2w4e by Molmil](/molmil-images/mine/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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7MHK
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![BU of 7mhk by Molmil](/molmil-images/mine/7mhk) | Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 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: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9601 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHN
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![BU of 7mhn by Molmil](/molmil-images/mine/7mhn) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 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: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1908 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHO
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![BU of 7mho by Molmil](/molmil-images/mine/7mho) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 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: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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