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PDB: 336 件
4G3J
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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)]
分子名称: 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
著者Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
登録日2012-07-14
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
4JJP
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2.06 Angstrom resolution crystal structure of phosphomethylpyrimidine kinase (thiD)from Clostridium difficile 630
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Phosphomethylpyrimidine kinase
著者Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-03-08
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献2.06 Angstrom resolution crystal structure of phosphomethylpyrimidine kinase (thiD)from Clostridium difficile 630
To be Published
4K15
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2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e
分子名称: CHLORIDE ION, Lmo2686 protein
著者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)
登録日2013-04-04
公開日2013-04-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献2.75 Angstrom Crystal Structure of Hypothetical Protein lmo2686 from Listeria monocytogenes EGD-e
TO BE PUBLISHED
8SMQ
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Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者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)
登録日2023-04-26
公開日2023-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
8SS0
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Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol
分子名称: 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Guengerich, F.P, Lepesheva, G.I.
登録日2023-05-08
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
5F47
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Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose
分子名称: CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
著者Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-03
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
6OV8
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2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655
分子名称: CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ...
著者Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-07
公開日2019-05-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
6OAD
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2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655.
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ...
著者Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-03-15
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
6WQB
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Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, N-terminal acetyltransferase, GNAT family
著者Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A.
登録日2020-04-28
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA
To Be Published
6WQC
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Crystal structure of VipF from Legionella hackeliae in complex with CoA
分子名称: COENZYME A, N-terminal acetyltransferase, GNAT family
著者Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A.
登録日2020-04-28
公開日2021-11-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of VipF from Legionella hackeliae in complex with CoA
To Be Published
5U08
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BU of 5u08 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with sisomicin
分子名称: (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, ...
著者Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-11-23
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
6MN3
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Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme
分子名称: Aminoglycoside N(3)-acetyltransferase, AAC(3)-IVa, CHLORIDE ION, ...
著者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)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5WOL
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BU of 5wol by Molmil
Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii
分子名称: 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, ...
著者Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-08-02
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of dihydrodipicolinate reductase DapB from Coxiella burnetii
To Be Published
5W6L
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Crystal Structure of RRSP, a MARTX Toxin Effector Domain from Vibrio vulnificus CMCP6
分子名称: CHLORIDE ION, GLYCEROL, RTX repeat-containing cytotoxin, ...
著者Minasov, G, Wawrzak, Z, Biancucci, M, Shuvalova, L, Dubrovska, I, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-06-16
公開日2018-06-27
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献The bacterial Ras/Rap1 site-specific endopeptidase RRSP cleaves Ras through an atypical mechanism to disrupt Ras-ERK signaling.
Sci Signal, 11, 2018
5TVL
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Crystal structure of foldase protein PrsA from Streptococcus pneumoniae str. Canada MDR_19A
分子名称: CHLORIDE ION, Foldase protein PrsA, GLYCEROL, ...
著者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)
登録日2016-11-09
公開日2016-11-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of foldase protein PrsA from Streptococcus pneumoniae str. Canada MDR_19A
To Be Published
5US1
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BU of 5us1 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A
分子名称: (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, ...
著者Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-13
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
6D7Y
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1.75 Angstrom Resolution Crystal Structure of the Toxic C-Terminal Tip of CdiA from Pseudomonas aeruginosa in Complex with Immune Protein
分子名称: Hemagglutinin, immune protein
著者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)
登録日2018-04-25
公開日2019-05-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A comparative genomics approach identifies contact-dependent growth inhibition as a virulence determinant.
Proc.Natl.Acad.Sci.USA, 117, 2020
5IUC
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Crystal structure of the GspB siglec domain with sialyl T antigen bound
分子名称: 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
著者Loukachevitch, L.V, Fialkowski, K.P, Wawrzak, Z, Iverson, T.M.
登録日2016-03-17
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.253 Å)
主引用文献A structural model for binding of the serine-rich repeat adhesin GspB to host carbohydrate receptors.
PLoS Pathog., 7, 2011
7LO9
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RNA dodecamer containing a GNA A residue
分子名称: Chains: A,B,C,D
著者Harp, J.M, Wawrzak, Z, Egli, M.
登録日2021-02-09
公開日2021-12-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
5JJ5
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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)
分子名称: (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, ...
著者Stogios, P.J, Wawrzak, Z, Kurdritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-04-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
5IR0
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Crystal structure of protein of unknown function ORF19 from Vibrio cholerae O1 PICI-like element, C57S I109M mutant
分子名称: CITRIC ACID, Uncharacterized protein ORF19
著者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)
登録日2016-03-11
公開日2016-03-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.297 Å)
主引用文献Crystal structure of protein of unknown function ORF19 from Vibrio cholerae O1 PICI-like element, C57S I109M mutant
To Be Published
3GOA
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BU of 3goa by Molmil
Crystal structure of the Salmonella typhimurium FadA 3-ketoacyl-CoA thiolase
分子名称: 3-ketoacyl-CoA thiolase, CALCIUM ION, CHLORIDE ION, ...
著者Anderson, S.M, Skarina, T, Onopriyenko, O, Wawrzak, Z, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-03-18
公開日2009-03-31
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献

6M8U
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Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex
分子名称: 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
著者Stogios, P.J, Skarina, T, Khusnutidinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A.
登録日2018-08-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.221 Å)
主引用文献Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex
To Be Published
6M8V
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Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex
分子名称: FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Khusnutdinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A.
登録日2018-08-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.221 Å)
主引用文献Crystal structure of UbiX-like FMN prenyltransferase MJ0101 from Methanocaldococcus jannaschii, FMN complex
To Be Published
6M8T
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Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex
分子名称: FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, PHOSPHATE ION
著者Stogios, P.J, Skarina, T, Khusnutidnova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A.
登録日2018-08-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, FMN complex
To Be Published

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