6P6R
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![BU of 6p6r by Molmil](/molmil-images/mine/6p6r) | HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
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2V1C
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![BU of 2v1c by Molmil](/molmil-images/mine/2v1c) | |
1PYC
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![BU of 1pyc by Molmil](/molmil-images/mine/1pyc) | CYP1 (HAP1) DNA-BINDING DOMAIN (RESIDUES 60-100), NMR, 15 STRUCTURES | Descriptor: | CYP1, ZINC ION | Authors: | Timmerman, J, Vuidepot, A.-L, Bontems, F, Lallemand, J.-Y, Gervais, M, Shechter, E, Guiard, B. | Deposit date: | 1996-02-17 | Release date: | 1996-08-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 1H, 15N resonance assignment and three-dimensional structure of CYP1 (HAP1) DNA-binding domain. J.Mol.Biol., 259, 1996
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2VF8
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![BU of 2vf8 by Molmil](/molmil-images/mine/2vf8) | Crystal structure of UvrA2 from Deinococcus radiodurans | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC SUBUNIT A, PHOSPHATE ION, ... | Authors: | Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S. | Deposit date: | 2007-10-31 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Mutational Analyses of Deinococcus Radiodurans Uvra2 Provide Insight Into DNA Binding and Damage Recognition by Uvras. Structure, 17, 2009
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2VF7
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![BU of 2vf7 by Molmil](/molmil-images/mine/2vf7) | Crystal structure of UvrA2 from Deinococcus radiodurans | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC, SUBUNIT A., ... | Authors: | Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S. | Deposit date: | 2007-10-31 | Release date: | 2008-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mutational analyses of Deinococcus radiodurans UvrA2 provide insight into DNA binding and damage recognition by UvrAs. Structure, 17, 2009
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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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5FUV
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![BU of 5fuv by Molmil](/molmil-images/mine/5fuv) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dThd | Descriptor: | GLYCEROL, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FUX
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![BU of 5fux by Molmil](/molmil-images/mine/5fux) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FUW
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![BU of 5fuw by Molmil](/molmil-images/mine/5fuw) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP or dThd | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, THYMIDINE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FUY
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![BU of 5fuy by Molmil](/molmil-images/mine/5fuy) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, ZINC ION, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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4AOZ
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![BU of 4aoz by Molmil](/molmil-images/mine/4aoz) | B. subtilis dUTPase YncF in complex with dU, PPi and Mg (P212121) | Descriptor: | 2'-DEOXYURIDINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-03-30 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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4B0H
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![BU of 4b0h by Molmil](/molmil-images/mine/4b0h) | B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121) | Descriptor: | 2'-DEOXYURIDINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-07-02 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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8B0Q
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![BU of 8b0q by Molmil](/molmil-images/mine/8b0q) | Deinococcus radiodurans UvrC C-terminal half | Descriptor: | UvrABC system protein C | Authors: | Timmins, J, Stelter, M. | Deposit date: | 2022-09-08 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional insights into the activation of the dual incision activity of UvrC, a key player in bacterial NER. Nucleic Acids Res., 51, 2023
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6HK5
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![BU of 6hk5 by Molmil](/molmil-images/mine/6hk5) | X-ray structure of a truncated mutant of the metallochaperone CooJ with a high-affinity nickel-binding site | Descriptor: | 3,3',3''-phosphoryltripropanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Alfano, M, Perard, J, Basset, C, Carpentier, P, Zambelli, B, Timm, J, Crouzy, S, Ciurli, S, Cavazza, C. | Deposit date: | 2018-09-05 | Release date: | 2019-03-27 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | The carbon monoxide dehydrogenase accessory protein CooJ is a histidine-rich multidomain dimer containing an unexpected Ni(II)-binding site. J.Biol.Chem., 294, 2019
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4APZ
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![BU of 4apz by Molmil](/molmil-images/mine/4apz) | Structure of B. subtilis genomic dUTPase YncF in complex with dU, PPi and Mg in P1 | Descriptor: | 2'-DEOXYURIDINE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Garcia-Nafria, J, Timm, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-04-11 | Release date: | 2013-04-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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4AOO
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![BU of 4aoo by Molmil](/molmil-images/mine/4aoo) | B. subtilis dUTPase YncF in complex with dU PPi and Mg in H32 | Descriptor: | 2'-DEOXYURIDINE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Garcia-Nafria, J, Timm, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-03-29 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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7L8I
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![BU of 7l8i by Molmil](/molmil-images/mine/7l8i) | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21) | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7L8J
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![BU of 7l8j by Molmil](/molmil-images/mine/7l8j) | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212) | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7L8H
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![BU of 7l8h by Molmil](/molmil-images/mine/7l8h) | EV68 3C protease (3Cpro) in Complex with Rupintrivir | Descriptor: | 3C Protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7QVB
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![BU of 7qvb by Molmil](/molmil-images/mine/7qvb) | |
4JCV
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![BU of 4jcv by Molmil](/molmil-images/mine/4jcv) | |
4UNF
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![BU of 4unf by Molmil](/molmil-images/mine/4unf) | Crystal structure of Deinococcus radiodurans Endonuclease III-1 | Descriptor: | ACETATE ION, ENDONUCLEASE III-1, IRON/SULFUR CLUSTER, ... | Authors: | Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E. | Deposit date: | 2014-05-28 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans. J.Struct.Biol., 191, 2015
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4UOB
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![BU of 4uob by Molmil](/molmil-images/mine/4uob) | Crystal structure of Deinococcus radiodurans Endonuclease III-3 | Descriptor: | ACETATE ION, COBALT (II) ION, ENDONUCLEASE III-3, ... | Authors: | Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E. | Deposit date: | 2014-06-02 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans. J.Struct.Biol., 191, 2015
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