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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7MHI
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![BU of 7mhi by Molmil](/molmil-images/mine/7mhi) | Crystal 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 tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHH
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![BU of 7mhh by Molmil](/molmil-images/mine/7mhh) | Crystal 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 tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHQ
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![BU of 7mhq by Molmil](/molmil-images/mine/7mhq) | Ensemble refinement structure of 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 temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHP
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![BU of 7mhp by Molmil](/molmil-images/mine/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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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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7K6E
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![BU of 7k6e by Molmil](/molmil-images/mine/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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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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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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2CE4
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![BU of 2ce4 by Molmil](/molmil-images/mine/2ce4) | Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans | Descriptor: | MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN] | Authors: | Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S. | Deposit date: | 2006-02-03 | Release date: | 2006-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
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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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2CDY
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![BU of 2cdy by Molmil](/molmil-images/mine/2cdy) | Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans | Descriptor: | MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN] | Authors: | Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S. | Deposit date: | 2006-01-31 | Release date: | 2006-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
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2BHU
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![BU of 2bhu by Molmil](/molmil-images/mine/2bhu) | Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MALTOOLIGOSYLTREHALOSE TREHALOHYDROLASE, ... | Authors: | Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S. | Deposit date: | 2005-01-18 | Release date: | 2005-03-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides J.Mol.Biol., 347, 2005
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2BHZ
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![BU of 2bhz by Molmil](/molmil-images/mine/2bhz) | Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with maltose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | Authors: | Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S. | Deposit date: | 2005-01-20 | Release date: | 2005-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides J.Mol.Biol., 347, 2005
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2C2U
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![BU of 2c2u by Molmil](/molmil-images/mine/2c2u) | Dps from Deinococcus radiodurans | Descriptor: | DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, SULFATE ION, ... | Authors: | Romao, C.V, Mitchell, E, McSweeney, S. | Deposit date: | 2005-09-30 | Release date: | 2006-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Crystal Structure of Deinococcus Radiodurans Dps Protein (Dr2263) Reveals the Presence of a Novel Metal Centre in the N Terminus. J.Biol.Inorg.Chem., 11, 2006
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2C2P
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![BU of 2c2p by Molmil](/molmil-images/mine/2c2p) | The crystal structure of mismatch specific uracil-DNA glycosylase (MUG) from Deinococcus radiodurans | Descriptor: | ACETATE ION, G/U MISMATCH-SPECIFIC DNA GLYCOSYLASE | Authors: | Moe, E, Leiros, I, Smalas, A.O, McSweeney, S. | Deposit date: | 2005-09-29 | Release date: | 2005-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Crystal Structure of Mismatch Specific Uracil-DNA Glycosylase (Mug) from Deinococcus Radiodurans Reveals a Novel Catalytic Residue and Broad Substrate Specificity J.Biol.Chem., 281, 2006
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2BOO
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![BU of 2boo by Molmil](/molmil-images/mine/2boo) | The crystal structure of Uracil-DNA N-Glycosylase (UNG) from Deinococcus radiodurans. | Descriptor: | NITRATE ION, URACIL-DNA GLYCOSYLASE | Authors: | Leiros, I, Moe, E, Smalas, A.O, McSweeney, S. | Deposit date: | 2005-04-13 | Release date: | 2005-07-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Uracil-DNA N-Glycosylase (Ung) from Deinococcus Radiodurans. Acta Crystallogr.,Sect.D, 61, 2005
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2C2Q
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![BU of 2c2q by Molmil](/molmil-images/mine/2c2q) | The crystal structure of mismatch specific uracil-DNA glycosylase (MUG) from Deinococcus radiodurans. Inactive mutant Asp93Ala. | Descriptor: | ACETATE ION, G/U MISMATCH-SPECIFIC DNA GLYCOSYLASE | Authors: | Moe, E, Leiros, I, Smalas, A.O, McSweeney, S. | Deposit date: | 2005-09-29 | Release date: | 2005-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Mismatch Specific Uracil-DNA Glycosylase (Mug) from Deinococcus Radiodurans Reveals a Novel Catalytic Residue and Broad Substrate Specificity J.Biol.Chem., 281, 2006
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2C2F
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![BU of 2c2f by Molmil](/molmil-images/mine/2c2f) | Dps from Deinococcus radiodurans | Descriptor: | DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, GLYCEROL, ... | Authors: | Romao, C.V, Mitchell, E, McSweeney, S. | Deposit date: | 2005-09-28 | Release date: | 2006-07-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The Crystal Structure of Deinococcus Radiodurans Dps Protein (Dr2263) Reveals the Presence of a Novel Metal Centre in the N Terminus. J.Biol.Inorg.Chem., 11, 2006
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2BHY
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![BU of 2bhy by Molmil](/molmil-images/mine/2bhy) | Crystal structure of Deinococcus radiodurans maltooligosyltrehalose trehalohydrolase in complex with trehalose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | Authors: | Timmins, J, Leiros, H.-K.S, Leonard, G, Leiros, I, McSweeney, S. | Deposit date: | 2005-01-20 | Release date: | 2005-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Maltooligosyltrehalose Trehalohydrolase from Deinococcus Radiodurans in Complex with Disaccharides J.Mol.Biol., 347, 2005
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8F6T
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![BU of 8f6t by Molmil](/molmil-images/mine/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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6Y8G
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![BU of 6y8g by Molmil](/molmil-images/mine/6y8g) | selenomethionine derivative of ferulic acid esterase (FAE) | Descriptor: | CADMIUM ION, Endo-1,4-beta-xylanase Y, GLYCEROL | Authors: | von Stetten, D, Mueller-Dieckmann, C, Carpentier, P, Flot, D. | Deposit date: | 2020-03-04 | Release date: | 2020-05-20 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam. J.Synchrotron Radiat., 27, 2020
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4YTA
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![BU of 4yta by Molmil](/molmil-images/mine/4yta) | BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | Deposit date: | 2015-03-17 | Release date: | 2015-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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1RKM
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![BU of 1rkm by Molmil](/molmil-images/mine/1rkm) | STRUCTURE OF OPPA | Descriptor: | OLIGO-PEPTIDE BINDING PROTEIN | Authors: | Sleigh, S.H, Tame, J.R.H, Wilkinson, A.J. | Deposit date: | 1997-03-25 | Release date: | 1997-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Peptide binding in OppA, the crystal structures of the periplasmic oligopeptide binding protein in the unliganded form and in complex with lysyllysine. Biochemistry, 36, 1997
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