7KYU
| The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate | Descriptor: | 1,2-ETHANEDIOL, 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole, 3C-like proteinase | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-08 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate To Be Published
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6XKH
| THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine) | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, ACETATE ION, ... | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevsky, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-06-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine) To Be Published
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6XKF
| The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine). | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevskyi, A.Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-06-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine). To Be Published
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6XOA
| The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-06 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation To Be Published
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4EW7
| The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium | Descriptor: | ACETIC ACID, CHLORIDE ION, Conjugative transfer: regulation, ... | Authors: | Wu, R, Jedrzejczak, R.P, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2012-04-26 | Release date: | 2012-09-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium To be Published
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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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6OZV
| The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-16 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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6P1J
| The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module | Descriptor: | ACETATE ION, CHLORIDE ION, CITRATE ANION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-20 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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6P4U
| The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-28 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | 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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6P3I
| The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-23 | Release date: | 2019-06-05 | Last modified: | 2020-03-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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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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7LA6
| THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, N239 deletion mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-05 | Release date: | 2021-01-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 203, 2021
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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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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
| 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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3OON
| The structure of an outer membrance protein from Borrelia burgdorferi B31 | Descriptor: | Outer membrane protein (Tpn50), SULFATE ION | Authors: | Fan, Y, Bigelow, L, Feldman, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-08-31 | Release date: | 2010-09-22 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.79 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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4R7Q
| The structure of a sensor domain of a histidine kinase from Vibrio cholerae O1 biovar eltor str. N16961 | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-08-28 | Release date: | 2014-09-10 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change. J.Bacteriol., 203, 2021
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4RHA
| Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, Outer membrane protein A, ... | Authors: | Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-01 | Release date: | 2014-10-29 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.75 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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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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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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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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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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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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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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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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