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4Q33
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BU of 4q33 by Molmil
Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
分子名称: 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline, ACETIC ACID, FORMIC ACID, ...
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 (2.885 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
TO BE PUBLISHED
3IGS
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BU of 3igs by Molmil
Structure of the Salmonella enterica N-acetylmannosamine-6-phosphate 2-epimerase
分子名称: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, N-acetylmannosamine-6-phosphate 2-epimerase 2, ...
著者Anderson, S.M, Wawrzak, Z, Gordon, E, Skarina, T, Papazisi, L, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-07-28
公開日2009-08-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献

4Q7G
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BU of 4q7g by Molmil
1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Leucotoxin LukDv
著者Minasov, G, Nocadello, S, Shuvalova, L, Shatsman, S, Kwon, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-24
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr D Struct Biol, 72, 2016
7K9K
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BU of 7k9k by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2H04 (local refinement)
分子名称: 2H04 heavy chain, 2H04 light chain, Spike protein S1, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9H
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SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9I
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BU of 7k9i by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2B04 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, 2B04 light chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9J
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BU of 7k9j by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab 2H04 (three down conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2H04 heavy chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
4QJ1
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BU of 4qj1 by Molmil
Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from Cryptosporidium parvum with inhibitor N109
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, FORMIC ACID, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-06-03
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from Cryptosporidium parvum with inhibitor N109
To be Published
3IV8
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BU of 3iv8 by Molmil
N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, N-acetylglucosamine-6-phosphate deacetylase, NICKEL (II) ION, ...
著者Osipiuk, J, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-08-31
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献X-ray crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate.
To be Published
4R7O
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BU of 4r7o by Molmil
Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kim, Y, Zhou, M, Shatsman, S, 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2023-09-20
実験手法X-RAY DIFFRACTION (2.534 Å)
主引用文献Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
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
4QVT
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BU of 4qvt by Molmil
Crystal structure of predicted N-acyltransferase (ypeA) in complex with acetyl-CoA from Escherichia coli
分子名称: ACETYL COENZYME *A, Acetyltransferase YpeA, SULFATE ION
著者Filippova, E.V, Minasov, G, Winsor, G, Dubrovska, I, Shuvalova, L, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-07-15
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Crystal structure of predicted N-acyltransferase (ypeA) in complex with acetyl-CoA from Escherichia coli
To be Published
4FXS
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BU of 4fxs by Molmil
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, MYCOPHENOLIC ACID, ...
著者Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-03
公開日2012-07-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae complexed with IMP and mycophenolic acid.
To be Published
7JM1
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BU of 7jm1 by Molmil
Crystal structure of aminoglycoside resistance enzyme ApmA, complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, Aminocyclitol acetyltransferase ApmA
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
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of aminoglycoside resistance enzyme ApmA, complex with acetyl-CoA
To Be Published
7JU7
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BU of 7ju7 by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
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2020-08-19
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
4R9M
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BU of 4r9m by Molmil
Crystal structure of spermidine N-acetyltransferase from Escherichia coli
分子名称: MAGNESIUM ION, Spermidine N(1)-acetyltransferase
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-09-05
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
4R6I
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BU of 4r6i by Molmil
AtxA protein, a virulence regulator from Bacillus anthracis.
分子名称: Anthrax toxin expression trans-acting positive regulator, DODECYL-BETA-D-MALTOSIDE
著者Osipiuk, J, Horton, L.B, Koehler, T.M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-08-25
公開日2014-10-22
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of Bacillus anthracis virulence regulator AtxA and effects of phosphorylated histidines on multimerization and activity.
Mol.Microbiol., 95, 2015
7L5V
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BU of 7l5v by Molmil
Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Monoclinic Crystal Form
分子名称: Beta-lactamase
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-23
公開日2021-12-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa.
Antimicrob.Agents Chemother., 66, 2022
7K1L
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BU of 7k1l by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-07
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
7JZ0
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BU of 7jz0 by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH).
分子名称: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-01
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Biorxiv, 2020
4IW7
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BU of 4iw7 by Molmil
Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis.
分子名称: 8-amino-7-oxononanoate synthase
著者Newcomb, W, Niedzialkowska, E, Porebski, P.J, Grimshaw, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-23
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis.
To be Published
4OIG
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BU of 4oig by Molmil
Dengue Virus Non-structural Protein NS1
分子名称: Non-structural protein 1, NS1, SULFATE ION
著者Edeling, M.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-19
公開日2014-03-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural basis of Flavivirus NS1 assembly and antibody recognition.
Proc.Natl.Acad.Sci.USA, 111, 2014
7L5R
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BU of 7l5r by Molmil
Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-22
公開日2021-12-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa.
Antimicrob.Agents Chemother., 66, 2022
4IT5
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BU of 4it5 by Molmil
Chaperone HscB from Vibrio cholerae
分子名称: CALCIUM ION, Co-chaperone protein HscB homolog
著者Osipiuk, J, Gu, M, Papazisi, L, 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2017-11-15
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Chaperone HscB from Vibrio cholerae.
To be Published
7KPP
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Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase
分子名称: 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ...
著者Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-11-12
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021

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