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3GW9
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BU of 3gw9 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide
分子名称: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
著者Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R.
登録日2009-03-31
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
4MH6
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2.8 Angstrom Crystal Structure of Type III Secretion Protein YscO from Vibrio parahaemolyticus
分子名称: PHOSPHATE ION, Putative type III secretion protein YscO
著者Minasov, G, Wawrzak, Z, Shuvalova, L, Winsor, J, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-29
公開日2013-09-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献2.8 Angstrom Crystal Structure of Type III Secretion Protein YscO from Vibrio parahaemolyticus.
TO BE PUBLISHED
4MHB
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Structure of a putative reductase from Yersinia pestis
分子名称: Putative aldo/keto reductase, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-29
公開日2013-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of a putative reductase from Yersinia pestis
To be Published
4MJZ
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2.75 Angstrom Resolution Crystal Structure of Putative Orotidine-monophosphate-decarboxylase from Toxoplasma gondii.
分子名称: DI(HYDROXYETHYL)ETHER, NITRATE ION, Orotidine 5'-phosphate decarboxylase, ...
著者Minasov, G, Wawrzak, Z, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-04
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献2.75 Angstrom Resolution Crystal Structure of Putative Orotidine-monophosphate-decarboxylase from Toxoplasma gondii.
TO BE PUBLISHED
3HZN
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BU of 3hzn by Molmil
Structure of the Salmonella typhimurium nfnB dihydropteridine reductase
分子名称: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-06-23
公開日2009-07-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Salmonella typhimurium nfnB dihydropteridine reductase
TO BE PUBLISHED
3HMQ
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1.9 Angstrom resolution crystal structure of a NAD synthetase (nadE) from Salmonella typhimurium LT2 in complex with NAD(+)
分子名称: NH(3)-dependent NAD(+) synthetase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Halavaty, A.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-05-29
公開日2009-06-16
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom resolution crystal structure of a NAD synthetase (nadE) from Salmonella typhimurium LT2 in complex with NAD(+)
To be Published
3I3W
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BU of 3i3w by Molmil
Structure of a phosphoglucosamine mutase from Francisella tularensis
分子名称: Phosphoglucosamine mutase, ZINC ION
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-07-01
公開日2010-01-19
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a phosphoglucosamine mutase from Francisella tularensis
To be Published
4MFG
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2.0 Angstrom Resolution Crystal Structure of Putative Carbonic Anhydrase from Clostridium difficile.
分子名称: MAGNESIUM ION, NICKEL (II) ION, Putative acyltransferase
著者Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-08-27
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2.0 Angstrom Resolution Crystal Structure of Putative Carbonic Anhydrase from Clostridium difficile.
TO BE PUBLISHED
3KBO
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2.14 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium in Complex with NADP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Glyoxylate/hydroxypyruvate reductase A, ...
著者Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-10-20
公開日2009-10-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献2.14 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium in Complex with NADP.
To be Published
3L4D
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BU of 3l4d by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R.
登録日2009-12-19
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum.
J.Biol.Chem., 286, 2011
4GD5
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X-ray Crystal Structure of a Putative Phosphate ABC Transporter Substrate-Binding Protein with Bound Phosphate from Clostridium perfringens
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-31
公開日2012-08-15
最終更新日2013-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray Crystal Structure of a Putative Phosphate ABC Transporter Substrate-Binding Protein with Bound Phosphate from Clostridium perfringens
To be Published
4G65
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Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus
分子名称: CHLORIDE ION, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Filippova, E.V, Wawrzak, Z, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-07-18
公開日2012-08-15
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus.
To be Published
4G7G
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BU of 4g7g by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)]
分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-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2012-07-20
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 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
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
4GNR
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1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
分子名称: ABC transporter substrate-binding protein-branched chain amino acid transport, CHLORIDE ION, ISOLEUCINE, ...
著者Halavaty, A.S, Kudritska, M, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-17
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
To be Published
4H59
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Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae Canada MDR_19A bound to Bis-tris propane
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Wawrzak, Z, Kudritska, M, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-09-18
公開日2012-10-03
最終更新日2016-05-04
実験手法X-RAY DIFFRACTION (1.658 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 Bis-tris propane
To be Published
4GUC
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1.4 Angstrom resolution crystal structure of uncharacterized protein BA_2500 from Bacillus anthracis str. Ames
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Protein BA_2500, ...
著者Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-29
公開日2012-10-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献1.4 Angstrom resolution crystal structure of uncharacterized protein BA_2500 from Bacillus anthracis str. Ames
To be Published
4H5G
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Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ARGININE, ...
著者Stogios, P.J, Wawrzak, Z, Kudritska, M, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-09-18
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 2
TO BE PUBLISHED
4H5F
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Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ARGININE, ...
著者Stogios, P.J, Wawrzak, Z, Kudritska, M, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-09-18
公開日2012-10-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 1
TO BE PUBLISHED
4HQI
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Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex
分子名称: SPERMINE, STRONTIUM ION, Short modified nucleic acids
著者Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P.
登録日2012-10-25
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
4I62
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1.05 Angstrom crystal structure of an amino acid ABC transporter substrate-binding protein AbpA from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine
分子名称: ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ...
著者Stogios, P.J, Kudritska, M, Wawrzak, Z, Minasov, G, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-11-29
公開日2012-12-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献1.05 Angstrom crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine
To be Published
4H4N
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1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, SULFATE ION, ...
著者Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-09-17
公開日2012-09-26
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis.
TO BE PUBLISHED
4IR8
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1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Sedoheptulose-1,7 bisphosphatase, ...
著者Minasov, G, Ruan, J, Wawrzak, Z, Halavaty, A, Shuvalova, L, Harb, O.S, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-01-14
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii.
TO BE PUBLISHED
4OVD
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Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
分子名称: CALCIUM ION, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-02-21
公開日2014-03-12
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
To be Published
4O96
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2.60 Angstrom resolution crystal structure of a protein kinase domain of type III effector NleH2 (ECs1814) from Escherichia coli O157:H7 str. Sakai
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, type III effector protein kinase
著者Anderson, S.M, Halavaty, A.S, Wawrzak, Z, Kudritska, M, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Type III Effector NleH2 from Escherichia coli O157:H7 str. Sakai Features an Atypical Protein Kinase Domain.
Biochemistry, 53, 2014

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