6OYF
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![BU of 6oyf by Molmil](/molmil-images/mine/6oyf) | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-14 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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3IC3
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![BU of 3ic3 by Molmil](/molmil-images/mine/3ic3) | Structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium Rhodopseudomonas palustrus CGA009 | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Cuff, M.E, Tesar, C, Jedrzejczak, R, Mckinlay, J.B, Harwood, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-17 | Release date: | 2009-09-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of a putative pyruvate dehydrogenase from the photosynthetic bacterium Rhodopseudomonas palustrus CGA009 TO BE PUBLISHED
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6PXA
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![BU of 6pxa by Molmil](/molmil-images/mine/6pxa) | The crystal structure of chloramphenicol acetyltransferase-like protein from Vibrio fischeri ES114 in complex with taurocholic acid | Descriptor: | ACETATE ION, CHLORIDE ION, Chloramphenicol acetyltransferase, ... | Authors: | Tan, K, Maltseva, N, Jedrzejczak, R, Kuhn, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-25 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The crystal structure of chloramphenicol acetyltransferase-like protein from Vibrio fischeri ES114 in complex with taurocholic acid To Be Published
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3IVP
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![BU of 3ivp by Molmil](/molmil-images/mine/3ivp) | |
5TCG
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![BU of 5tcg by Molmil](/molmil-images/mine/5tcg) | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate-bound form | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, FORMIC ACID, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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5TCH
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![BU of 5tch by Molmil](/molmil-images/mine/5tch) | Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form, TrpA-G66V mutant | Descriptor: | FORMIC ACID, MALONATE ION, Tryptophan synthase alpha chain, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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5TCI
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![BU of 5tci by Molmil](/molmil-images/mine/5tci) | Crystal structure of tryptophan synthase from M. tuberculosis - BRD4592-bound form | Descriptor: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, FORMIC ACID, MALONATE ION, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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3K1U
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![BU of 3k1u by Molmil](/molmil-images/mine/3k1u) | Beta-xylosidase, family 43 glycosyl hydrolase from Clostridium acetobutylicum | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-xylosidase, ... | Authors: | Osipiuk, J, Wu, R, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-09-28 | Release date: | 2009-10-06 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray crystal structure of
beta-xylosidase, family 43 glycosyl hydrolase from Clostridium acetobutylicum at 1.55 A resolution To be Published
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5TCJ
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![BU of 5tcj by Molmil](/molmil-images/mine/5tcj) | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate and BRD4592-bound form | Descriptor: | (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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5TCF
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![BU of 5tcf by Molmil](/molmil-images/mine/5tcf) | Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form | Descriptor: | FORMIC ACID, MALONATE ION, POTASSIUM ION, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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3IV3
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![BU of 3iv3 by Molmil](/molmil-images/mine/3iv3) | The Structure of a putative tagatose 1,6-aldolase from Streptococcus mutans | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Cuff, M.E, Hatzos, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-08-31 | Release date: | 2009-09-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of a putative tagatose 1,6-aldolase from Streptococcus mutans TO BE PUBLISHED
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7JU7
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![BU of 7ju7 by Molmil](/molmil-images/mine/7ju7) | The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-08-19 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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6EX7
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![BU of 6ex7 by Molmil](/molmil-images/mine/6ex7) | Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | Authors: | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | Deposit date: | 2017-11-07 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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5KIN
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![BU of 5kin by Molmil](/molmil-images/mine/5kin) | Crystal structure of tryptophan synthase alpha beta complex from Streptococcus pneumoniae | Descriptor: | GLYCEROL, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | Authors: | Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-06-16 | Release date: | 2016-07-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Conservation of the structure and function of bacterial tryptophan synthases. Iucrj, 6, 2019
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5KZM
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![BU of 5kzm by Molmil](/molmil-images/mine/5kzm) | Crystal structure of Tryptophan synthase alpha-beta chain complex from Francisella tularensis | Descriptor: | ACETATE ION, CALCIUM ION, Tryptophan synthase alpha chain, ... | Authors: | Chang, C, Michalska, K, Joachimiak, G, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-07-25 | Release date: | 2016-08-10 | Last modified: | 2019-09-18 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Conservation of the structure and function of bacterial tryptophan synthases. Iucrj, 6, 2019
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6MEL
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![BU of 6mel by Molmil](/molmil-images/mine/6mel) | Succinyl-CoA synthase from Campylobacter jejuni | Descriptor: | CHLORIDE ION, CITRIC ACID, Succinate--CoA ligase [ADP-forming] subunit beta, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-06 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Succinyl-CoA synthase from Campylobacter jejuni to be published
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6MGG
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![BU of 6mgg by Molmil](/molmil-images/mine/6mgg) | Succinyl-CoA synthase from Francisella tularensis, phosphorylated, in complex with CoA | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, MAGNESIUM ION, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-13 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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7JFQ
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![BU of 7jfq by Molmil](/molmil-images/mine/7jfq) | The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, FORMIC ACID | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-17 | Release date: | 2020-07-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145 To Be Published
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5VES
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![BU of 5ves by Molmil](/molmil-images/mine/5ves) | The 2.4A crystal structure of OmpA domain of OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S | Descriptor: | Outer membrane protein A, SULFATE ION | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2017-04-05 | Release date: | 2017-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi. Protein Sci., 26, 2017
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5EV7
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![BU of 5ev7 by Molmil](/molmil-images/mine/5ev7) | The crystal structure of a functionally unknown conserved protein mutant from Bacillus anthracis str. Ames | Descriptor: | Conserved domain protein | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-11-19 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | The crystal structure of a functionally unknown conserved protein mutant from Bacillus anthracis str. Ames. To Be Published
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5F1Y
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![BU of 5f1y by Molmil](/molmil-images/mine/5f1y) | |
5FCD
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![BU of 5fcd by Molmil](/molmil-images/mine/5fcd) | Crystal structure of MccD protein | Descriptor: | CHLORIDE ION, MccD, UNK-UNK-UNK-MSE-UNK, ... | Authors: | Nocek, B, Jedrzejczak, R, Anderson, W.F, Severinov, K, Dubiley, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-15 | Release date: | 2015-12-30 | Last modified: | 2017-02-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of MccD protein. To Be Published
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7KB3
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![BU of 7kb3 by Molmil](/molmil-images/mine/7kb3) | The structure of a sensor domain of a histidine kinase (VxrA) from Vibrio cholerae O1 biovar eltor str. N16961, 2nd form | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-10-01 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 2021
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7L5D
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![BU of 7l5d by Molmil](/molmil-images/mine/7l5d) | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-21 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2. Science, 373, 2021
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5T86
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![BU of 5t86 by Molmil](/molmil-images/mine/5t86) | Crystal structure of CDI complex from E. coli A0 34/86 | Descriptor: | ACETATE ION, CdiA toxin, CdiI immunity protein | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-09-06 | Release date: | 2017-09-13 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of CDI complex from E. coli A0 34/86 To Be Published
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