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4MUS
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BU of 4mus by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Ala-D-Ala phosphinate analog
分子名称: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, CHLORIDE ION, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
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
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-21
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
7KB9
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BU of 7kb9 by Molmil
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
4DFU
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BU of 4dfu by Molmil
Inhibition of an antibiotic resistance enzyme: crystal structure of aminoglycoside phosphotransferase APH(2")-ID/APH(2")-IVA in complex with kanamycin inhibited with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, APH(2")-Id, CHLORIDE ION, ...
著者Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Egorova, E, Di Leo, R, Li, H, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-24
公開日2012-02-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A small molecule discrimination map of the antibiotic resistance kinome.
Chem.Biol., 18, 2011
7JWN
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BU of 7jwn by Molmil
Crystal structure of Human Serum Albumin in complex with ketoprofen
分子名称: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, (R)-Ketoprofen, 1,2-ETHANEDIOL, ...
著者Czub, M.P, Shabalin, I.G, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-08-25
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Organism-specific differences in the binding of ketoprofen to serum albumin.
Iucrj, 9, 2022
3M49
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BU of 3m49 by Molmil
Crystal Structure of Transketolase Complexed with Thiamine Diphosphate from Bacillus anthracis
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-03-10
公開日2010-04-07
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Transketolase Complexed with Thiamine Diphosphate from Bacillus anthracis
To be Published
7JM0
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BU of 7jm0 by Molmil
Crystal structure of aminoglycoside resistance enzyme ApmA, apoenzyme
分子名称: Aminocyclitol acetyltransferase ApmA, SULFATE ION
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-07-30
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of aminoglycoside resistance enzyme ApmA, apoenzyme
To Be Published
3IEB
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BU of 3ieb by Molmil
Crystal structure of 3-keto-L-gulonate-6-phosphate decarboxylase from Vibrio cholerae O1 biovar El Tor str. N16961
分子名称: GLYCEROL, Hexulose-6-phosphate synthase SgbH, SULFATE ION
著者Nocek, B, Maltseva, N, Osipiuk, J, Stam, J, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-07-22
公開日2009-08-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of 3-keto-L-gulonate-6-phosphate decarboxylase from Vibrio cholerae O1 biovar El Tor str. N16961
To be Published
3JS3
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BU of 3js3 by Molmil
Crystal structure of type I 3-dehydroquinate dehydratase (aroD) from Clostridium difficile with covalent reaction intermediate
分子名称: 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase
著者Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-09-09
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
4M9D
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BU of 4m9d by Molmil
The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate synthetase, ...
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-14
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献The Crystal structure of an adenylosuccinate synthetase from Bacillus anthracis str. Ames Ancestor in complex with AMP.
To be Published
4E4R
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BU of 4e4r by Molmil
EutD phosphotransacetylase from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Osipiuk, J, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-13
公開日2012-03-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献EutD phosphotransacetylase from Staphylococcus aureus.
To be Published
4LAT
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BU of 4lat by Molmil
Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A in complex with phosphate
分子名称: ISOPROPYL ALCOHOL, PHOSPHATE ION, Phosphate-binding protein PstS 1
著者Stogios, P.J, Wawrzak, Z, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-06-20
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A in complex with phosphate
To be Published
4HDE
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BU of 4hde by Molmil
The crystal structure of a SCO1/SenC family lipoprotein from Bacillus anthracis str. Ames
分子名称: SCO1/SenC family lipoprotein
著者Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-10-02
公開日2012-10-24
実験手法X-RAY DIFFRACTION (1.317 Å)
主引用文献The crystal structure of a SCO1/SenC family lipoprotein from Bacillus anthracis str. Ames
To be Published
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
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-05
公開日2021-01-27
最終更新日2023-10-25
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., 203, 2021
4PQA
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BU of 4pqa by Molmil
Crystal Structure of succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 in complex with the Inhibitor Captopril
分子名称: L-CAPTOPRIL, SULFATE ION, Succinyl-diaminopimelate desuccinylase, ...
著者Nocek, B, Starus, A, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-03-01
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
4E5S
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BU of 4e5s by Molmil
Crystal structure of MccFlike protein (BA_5613) from Bacillus anthracis str. Ames
分子名称: GLYCEROL, MccFlike protein (BA_5613)
著者Nocek, B, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-14
公開日2012-04-18
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Crystal structure of MccFlike protein (BA_5613) from Bacillus anthracis str. Ames
To be Published
4MUT
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BU of 4mut by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4Q32
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Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and C91
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide
著者Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-10
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.788 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and C91
To be Published
3FPI
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Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase IspF complexed with Cytidine Triphosphate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Kim, Y, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-01-05
公開日2009-02-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase IspF complexed with Cytidine Triphosphate
To be Published
4E1L
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Crystal structure of Acetoacetyl-CoA thiolase (thlA2) from Clostridium difficile
分子名称: Acetoacetyl-CoA thiolase 2, IODIDE ION
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-06
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献

3DQQ
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BU of 3dqq by Molmil
The crystal structure of the putative tRNA synthase from Salmonella typhimurium LT2
分子名称: Putative tRNA synthase
著者Zhang, R, Gu, M, Zhou, M, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-07-09
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of the putative tRNA synthase from Salmonella typhimurium LT2
To be Published, 2008
4MUQ
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BU of 4muq by Molmil
Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg in complex with D-Ala-D-Ala phosphinate analog
分子名称: (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, (2R)-3-[(R)-[(1S)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid, 1,2-ETHANEDIOL, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.364 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MUR
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BU of 4mur by Molmil
Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ...
著者Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MVA
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1.43 Angstrom Resolution Crystal Structure of Triosephosphate Isomerase (tpiA) from Escherichia coli in Complex with Acetyl Phosphate.
分子名称: 1,2-ETHANEDIOL, ACETYLPHOSPHATE, CHLORIDE ION, ...
著者Minasov, G, Kuhn, M.L, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-23
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
Plos One, 9, 2014

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