4G3J
 
 | | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)] | | Descriptor: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I. | | Deposit date: | 2012-07-14 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
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4JJP
 | | 2.06 Angstrom resolution crystal structure of phosphomethylpyrimidine kinase (thiD)from Clostridium difficile 630 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Phosphomethylpyrimidine kinase | | Authors: | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-03-08 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.056 Å) | | Cite: | 2.06 Angstrom resolution crystal structure of phosphomethylpyrimidine kinase (thiD)from Clostridium difficile 630
To be Published
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4K15
 | | 2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e | | Descriptor: | CHLORIDE ION, Lmo2686 protein | | Authors: | Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-04-04 | | Release date: | 2013-04-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e
TO BE PUBLISHED
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8SMQ
 | | Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
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8SS0
 | | Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol | | Descriptor: | 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T.Y, Wawrzak, Z, Guengerich, F.P, Lepesheva, G.I. | | Deposit date: | 2023-05-08 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Oxygen-18 Labeling Reveals a Mixed Fe-O Mechanism in the Last Step of Cytochrome P450 51 Sterol 14 alpha-Demethylation.
Angew.Chem.Int.Ed.Engl., 63, 2024
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5F47
 | | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose | | Descriptor: | CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-12-03 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
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6OV8
 | | 2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ... | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-07 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
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6OAD
 | | 2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655. | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-03-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
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6WQB
 | | Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, N-terminal acetyltransferase, GNAT family | | Authors: | Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A. | | Deposit date: | 2020-04-28 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA
To Be Published
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6WQC
 | | Crystal structure of VipF from Legionella hackeliae in complex with CoA | | Descriptor: | COENZYME A, N-terminal acetyltransferase, GNAT family | | Authors: | Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A. | | Deposit date: | 2020-04-28 | | Release date: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of VipF from Legionella hackeliae in complex with CoA
To Be Published
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5U08
 | | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, ACETATE ION, CALCIUM ION, ... | | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-23 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
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6MN3
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme | | Descriptor: | Aminoglycoside N(3)-acetyltransferase, AAC(3)-IVa, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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5WOL
 | | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-hydroxy-tetrahydrodipicolinate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-08-02 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii
To Be Published
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5W6L
 | | Crystal Structure of RRSP, a MARTX Toxin Effector Domain from Vibrio vulnificus CMCP6 | | Descriptor: | CHLORIDE ION, GLYCEROL, RTX repeat-containing cytotoxin, ... | | Authors: | Minasov, G, Wawrzak, Z, Biancucci, M, Shuvalova, L, Dubrovska, I, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-06-16 | | Release date: | 2018-06-27 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | The bacterial Ras/Rap1 site-specific endopeptidase RRSP cleaves Ras through an atypical mechanism to disrupt Ras-ERK signaling.
Sci Signal, 11, 2018
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5TVL
 | | Crystal structure of foldase protein PrsA from Streptococcus pneumoniae str. Canada MDR_19A | | Descriptor: | CHLORIDE ION, Foldase protein PrsA, GLYCEROL, ... | | Authors: | Borek, D, Yim, V, Kudritska, M, Wawrzak, Z, Stogios, P.J, Otwinowski, Z, Savchenko, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-09 | | Release date: | 2016-11-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of foldase protein PrsA from Streptococcus pneumoniae str. Canada MDR_19A
To Be Published
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5US1
 | | Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase, ... | | Authors: | Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
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6D7Y
 | | 1.75 Angstrom Resolution Crystal Structure of the Toxic C-Terminal Tip of CdiA from Pseudomonas aeruginosa in Complex with Immune Protein | | Descriptor: | Hemagglutinin, immune protein | | Authors: | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Allen, J.P, Hauser, A.R, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-25 | | Release date: | 2019-05-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A comparative genomics approach identifies contact-dependent growth inhibition as a virulence determinant.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5IUC
 | | Crystal structure of the GspB siglec domain with sialyl T antigen bound | | Descriptor: | MAGNESIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, Platelet binding protein GspB | | Authors: | Loukachevitch, L.V, Fialkowski, K.P, Wawrzak, Z, Iverson, T.M. | | Deposit date: | 2016-03-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.253 Å) | | Cite: | A structural model for binding of the serine-rich repeat adhesin GspB to host carbohydrate receptors.
PLoS Pathog., 7, 2011
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7LO9
 | | RNA dodecamer containing a GNA A residue | | Descriptor: | Chains: A,B,C,D | | Authors: | Harp, J.M, Wawrzak, Z, Egli, M. | | Deposit date: | 2021-02-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
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5JJ5
 | | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III) | | Descriptor: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, ABC transporter substrate-binding protein-iron transport, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Wawrzak, Z, Kurdritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-04-22 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to hydroxymate siderophore ferrioxamine E and iron(III)
To Be Published
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5IR0
 | | Crystal structure of protein of unknown function ORF19 from Vibrio cholerae O1 PICI-like element, C57S I109M mutant | | Descriptor: | CITRIC ACID, Uncharacterized protein ORF19 | | Authors: | Stogios, P.J, Wawrzak, Z, Skarina, T, Di Leo, R, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-03-11 | | Release date: | 2016-03-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.297 Å) | | Cite: | Crystal structure of protein of unknown function ORF19 from Vibrio cholerae O1 PICI-like element, C57S I109M mutant
To Be Published
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3GOA
 | | Crystal structure of the Salmonella typhimurium FadA 3-ketoacyl-CoA thiolase | | Descriptor: | 3-ketoacyl-CoA thiolase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Anderson, S.M, Skarina, T, Onopriyenko, O, Wawrzak, Z, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-03-18 | | Release date: | 2009-03-31 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: |
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6M8U
 | | Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION | | Authors: | Stogios, P.J, Skarina, T, Khusnutidinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2018-08-22 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.221 Å) | | Cite: | Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex
To Be Published
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6M8V
 | | Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2018-08-22 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.221 Å) | | Cite: | Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex
To Be Published
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6M8T
 | | Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, PHOSPHATE ION | | Authors: | Stogios, P.J, Skarina, T, Khusnutidnova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A. | | Deposit date: | 2018-08-22 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex
To Be Published
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