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6XOA
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BU of 6xoa by Molmil
The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-06
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation
To Be Published
6XKH
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BU of 6xkh by Molmil
THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, ACETATE ION, ...
著者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)
登録日2020-06-26
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
To Be Published
6XKF
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BU of 6xkf by Molmil
The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION
著者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)
登録日2020-06-26
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
To Be Published
4EW7
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BU of 4ew7 by Molmil
The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium
分子名称: ACETIC ACID, CHLORIDE ION, Conjugative transfer: regulation, ...
著者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)
登録日2012-04-26
公開日2012-09-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium
To be Published
7JFQ
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BU of 7jfq by Molmil
The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, FORMIC ACID
著者Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-17
公開日2020-07-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145
To Be Published
7KYU
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BU of 7kyu by Molmil
The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate
分子名称: 1,2-ETHANEDIOL, 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole, 3C-like proteinase
著者Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-08
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The crystal structure of SARS-CoV-2 Main Protease with the formation of Cys145-1H-indole-5-carboxylate
To Be Published
5KZM
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BU of 5kzm by Molmil
Crystal structure of Tryptophan synthase alpha-beta chain complex from Francisella tularensis
分子名称: ACETATE ION, CALCIUM ION, Tryptophan synthase alpha chain, ...
著者Chang, C, Michalska, K, Joachimiak, G, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-07-25
公開日2016-08-10
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Conservation of the structure and function of bacterial tryptophan synthases.
Iucrj, 6, 2019
5KIN
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BU of 5kin by Molmil
Crystal structure of tryptophan synthase alpha beta complex from Streptococcus pneumoniae
分子名称: GLYCEROL, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-06-16
公開日2016-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conservation of the structure and function of bacterial tryptophan synthases.
Iucrj, 6, 2019
6OYF
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BU of 6oyf by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-14
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6OZV
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BU of 6ozv by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-16
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6P1J
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BU of 6p1j by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module
分子名称: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-20
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6P3I
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BU of 6p3i by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-23
公開日2019-06-05
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6P4U
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BU of 6p4u by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP
分子名称: ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-28
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
3OON
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BU of 3oon by Molmil
The structure of an outer membrance protein from Borrelia burgdorferi B31
分子名称: Outer membrane protein (Tpn50), SULFATE ION
著者Fan, Y, Bigelow, L, Feldman, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-08-31
公開日2010-09-22
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
5TCI
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BU of 5tci by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - BRD4592-bound form
分子名称: (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, FORMIC ACID, MALONATE ION, ...
著者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)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCH
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BU of 5tch by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form, TrpA-G66V mutant
分子名称: FORMIC ACID, MALONATE ION, Tryptophan synthase alpha chain, ...
著者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)
登録日2016-09-15
公開日2017-05-31
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCJ
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BU of 5tcj by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate and BRD4592-bound form
分子名称: (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, ...
著者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)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCG
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BU of 5tcg by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate-bound form
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, FORMIC ACID, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCF
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BU of 5tcf by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form
分子名称: FORMIC ACID, MALONATE ION, POTASSIUM ION, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
4R7Q
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BU of 4r7q by Molmil
The structure of a sensor domain of a histidine kinase from Vibrio cholerae O1 biovar eltor str. N16961
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-08-28
公開日2014-09-10
最終更新日2022-11-16
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change.
J.Bacteriol., 203, 2021
4RHA
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BU of 4rha by Molmil
Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, Outer membrane protein A, ...
著者Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-10-01
公開日2014-10-29
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
5VES
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BU of 5ves by Molmil
The 2.4A crystal structure of OmpA domain of OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
分子名称: Outer membrane protein A, SULFATE ION
著者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)
登録日2017-04-05
公開日2017-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7KB7
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BU of 7kb7 by Molmil
THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, N239-T240 deletion mutant
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
著者Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Membrane Proteins of Infectious Diseases (MPID)
登録日2020-10-01
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change.
J.Bacteriol., 2021
7KB3
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BU of 7kb3 by Molmil
The structure of a sensor domain of a histidine kinase (VxrA) from Vibrio cholerae O1 biovar eltor str. N16961, 2nd form
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-10-01
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change.
J.Bacteriol., 2021
7KB9
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THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, D238-T240 deletion mutant
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Sensor histidine kinase
著者Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-10-01
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change.
J.Bacteriol., 2021

 

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