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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
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
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).
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
6XOA
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BU of 6xoa by Molmil
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
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)
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
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
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
7JFQ
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BU of 7jfq by Molmil
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
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
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
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
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
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
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
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
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
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
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
7LA6
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BU of 7la6 by Molmil
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
5KZM
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BU of 5kzm by Molmil
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
5KIN
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BU of 5kin by Molmil
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
3OON
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BU of 3oon by Molmil
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
7L5D
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BU of 7l5d by Molmil
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
5TCI
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BU of 5tci by Molmil
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
5TCH
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BU of 5tch by Molmil
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
5TCJ
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BU of 5tcj by Molmil
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
5TCG
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BU of 5tcg by Molmil
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:2022-04-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
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
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
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
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
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
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
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
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
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
Authors:Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Membrane Proteins of Infectious Diseases (MPID)
Deposit date:2020-10-01
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 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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