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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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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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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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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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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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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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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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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1ZIQ
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![BU of 1ziq by Molmil](/molmil-images/mine/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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1ZGT
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![BU of 1zgt by Molmil](/molmil-images/mine/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
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![BU of 1zir by Molmil](/molmil-images/mine/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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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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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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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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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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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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1ZIE
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![BU of 1zie by Molmil](/molmil-images/mine/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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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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3UNX
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![BU of 3unx by Molmil](/molmil-images/mine/3unx) | Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | Deposit date: | 2011-11-16 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr.,Sect.D, 68, 2012
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8G83
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![BU of 8g83 by Molmil](/molmil-images/mine/8g83) | Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | Descriptor: | NAD(+) hydrolase AbTIR | Authors: | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | Deposit date: | 2023-02-17 | Release date: | 2023-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations. J.Biol.Chem., 299, 2023
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