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4IBF
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BU of 4ibf by Molmil
Ebola virus VP35 bound to small molecule
分子名称: (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4GJ1
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BU of 4gj1 by Molmil
Crystal structure of 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase (hisA).
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase
著者Nocek, B, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-09
公開日2012-08-22
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Crystal structure of 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase (hisA).
To be Published
4MPB
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BU of 4mpb by Molmil
1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus
分子名称: Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION
著者Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-12
公開日2013-09-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
4GL0
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BU of 4gl0 by Molmil
Putative spermidine/putrescine ABC transporter from Listeria monocytogenes
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lmo0810 protein, ...
著者Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-13
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Putative spermidine/putrescine ABC transporter from Listeria monocytogenes
To be Published
4FEW
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BU of 4few by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2
分子名称: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-30
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4FG0
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BU of 4fg0 by Molmil
Structure of the St. Louis Encephalitis Virus envelope protein in the fusogenic trimer conformation.
分子名称: Polyprotein
著者Luca, V.C, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-06-01
公開日2012-06-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.899 Å)
主引用文献Structure of the st. Louis encephalitis virus postfusion envelope trimer.
J.Virol., 87, 2013
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
6B3N
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BU of 6b3n by Molmil
Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
分子名称: NleG5-1
著者Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-09-22
公開日2017-11-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
To Be Published
4R40
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BU of 4r40 by Molmil
Crystal Structure of TolB/Pal complex from Yersinia pestis.
分子名称: FORMIC ACID, GLYCEROL, Peptidoglycan-associated lipoprotein, ...
著者Maltseva, N, Kim, Y, Osipiuk, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-08-18
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Crystal Structure of TolB/Pal complex from Yersinia pestis.
To be Published
4GVO
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BU of 4gvo by Molmil
Putative L-Cystine ABC transporter from Listeria monocytogenes
分子名称: CHLORIDE ION, HISTIDINE, Lmo2349 protein, ...
著者Osipiuk, J, Makowska-Grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-30
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Putative L-Cystine ABC transporter from Listeria monocytogenes
To be Published
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
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
4ISX
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BU of 4isx by Molmil
The crystal structure of maltose o-acetyltransferase from clostridium difficile 630 in complex with acetyl-coa
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYL COENZYME *A, Maltose O-acetyltransferase
著者Tan, K, Gu, G, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-17
公開日2013-01-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献The crystal structure of maltose o-acetyltransferase from clostridium difficile 630 in complex with acetyl-coa
To be Published
4IBB
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BU of 4ibb by Molmil
Ebola virus VP35 bound to small molecule
分子名称: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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
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
3KOM
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BU of 3kom by Molmil
Crystal structure of apo transketolase from Francisella tularensis
分子名称: Transketolase
著者Anderson, S.M, Wawrzak, Z, Skarina, T, Gordon, E, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-11-13
公開日2009-12-01
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of apo transketolase from Francisella tularensis
TO BE PUBLISHED
3L93
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BU of 3l93 by Molmil
Phosphopantetheine adenylyltransferase from Yersinia pestis.
分子名称: FORMIC ACID, Phosphopantetheine adenylyltransferase
著者Osipiuk, J, Maltseva, N, Makowska-grzyska, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-01-04
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献X-ray crystal structure of phosphopantetheine adenylyltransferase from Yersinia pestis.
To be Published
4IX2
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BU of 4ix2 by Molmil
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed with IMP
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, POTASSIUM ION
著者Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-24
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.146 Å)
主引用文献Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, complexed with IMP.
To be Published
4JVO
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BU of 4jvo by Molmil
Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with alanyl sulfamoyl adenylates
分子名称: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, GLYCEROL, Microcin immunity protein MccF
著者Nocek, B, Tikhonov, A, Severinov, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-03-25
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with alanyl sulfamoyl adenylates
TO BE PUBLISHED
4RV8
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BU of 4rv8 by Molmil
Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum and the inhibitor p131
分子名称: 1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-11-25
公開日2014-12-31
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structure of Cryptosporidium IMP dehydrogenase bound to an inhibitor with in vivo antiparasitic activity.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4RWR
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BU of 4rwr by Molmil
2.1 Angstrom Crystal Structure of Stage II Sporulation Protein D from Bacillus anthracis
分子名称: Stage II sporulation protein D
著者Minasov, G, Wawrzak, Z, Nocadello, S, Shuvalova, L, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-12-05
公開日2014-12-17
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of the SpoIID Lytic Transglycosylases Essential for Bacterial Sporulation.
J.Biol.Chem., 291, 2016
4Q32
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BU of 4q32 by Molmil
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
4GFP
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BU of 4gfp by Molmil
2.7 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in a second conformational state
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, BETA-MERCAPTOETHANOL
著者Light, S.H, Minasov, G, Krishna, S.N, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-03
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献2.7 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in second conformational state
TO BE PUBLISHED
4GB7
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BU of 4gb7 by Molmil
Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis
分子名称: 1,2-ETHANEDIOL, 6-aminohexanoate-dimer hydrolase, NITRATE ION
著者Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-26
公開日2012-08-08
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis.
To be Published

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