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6STD
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BU of 6std by Molmil
SCYTALONE DEHYDRATASE PLUS INHIBITOR 3
分子名称: 2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE, CALCIUM ION, Scytalone dehydratase
著者Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
登録日1999-02-11
公開日1999-12-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
7STD
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SCYTALONE DEHYDRATASE PLUS INHIBITOR 4
分子名称: ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, CALCIUM ION, Scytalone dehydratase
著者Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
登録日1999-02-11
公開日1999-12-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
4EVM
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1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
分子名称: Thioredoxin family protein
著者Wawrzak, Z, Stogios, P.J, Minasov, G, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-26
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
To be Published
5STD
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BU of 5std by Molmil
SCYTALONE DEHYDRATASE PLUS INHIBITOR 2
分子名称: (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE, CALCIUM ION, Scytalone dehydratase
著者Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
登録日1999-02-10
公開日1999-12-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
4STD
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HIGH RESOLUTION STRUCTURES OF SCYTALONE DEHYDRATASE-INHIBITOR COMPLEXES CRYSTALLIZED AT PHYSIOLOGICAL PH
分子名称: N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE, Scytalone dehydratase
著者Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
登録日1999-02-10
公開日1999-12-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
5AJR
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Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)
分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Wawrzak, Z, Hoekstra, W, I Lepesheva, G.
登録日2015-02-26
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi.
Antimicrob.Agents Chemother., 60, 2015
4H6O
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Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole
分子名称: 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
著者Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I.
登録日2012-09-19
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
1LLF
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BU of 1llf by Molmil
Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase 3, TRICOSANOIC ACID
著者Pletnev, V, Addlagatta, A, Wawrzak, Z, Duax, W.
登録日2002-04-28
公開日2003-01-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
5VIS
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BU of 5vis by Molmil
1.73 Angstrom Resolution Crystal Structure of Dihydropteroate Synthase (folP-SMZ_B27) from Soil Uncultured Bacterium.
分子名称: CHLORIDE ION, D(-)-TARTARIC ACID, Dihydropteroate Synthase, ...
著者Minasov, G, Wawrzak, Z, Di Leo, R, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-04-17
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1.73 Angstrom Resolution Crystal Structure of Dihydropteroate Synthase (folP-SMZ_B27) from Soil Uncultured Bacterium.
To Be Published
4YWZ
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BU of 4ywz by Molmil
Crystal structure of the extracellular receptor domain of the essential sensor kinase WalK from Staphylococcus aureus
分子名称: Sensor protein kinase WalK
著者Ji, Q, Wawrzak, Z, He, C.
登録日2015-03-21
公開日2016-03-30
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.
Nat Commun, 7, 2016
2RF3
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Crystal Structure of Tricyclo-DNA: An Unusual Compensatory Change of Two Adjacent Backbone Torsion Angles
分子名称: 5'-d(CGCG(TCY)ATTCGCG)-3', SPERMINE, ZINC ION
著者Pallan, P.S, Ittig, D, Heroux, A, Wawrzak, Z, Leumann, C.J, Egli, M.
登録日2007-09-27
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles.
Chem.Commun.(Camb.), 2008, 2008
4UHI
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HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
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, I Lepesheva, G.
登録日2015-03-24
公開日2016-06-08
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4UHL
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HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP
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, I Lepesheva, G.
登録日2015-03-24
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
8EKT
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BU of 8ekt by Molmil
CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1)
分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2022-09-21
公開日2023-08-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target
J.Med.Chem., 2024
4NVR
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BU of 4nvr by Molmil
2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica
分子名称: CALCIUM ION, CHLORIDE ION, Putative acyltransferase
著者Minasov, G, Wawrzak, Z, Skarina, T, Gordon, E, Stam, J, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-12-05
公開日2013-12-18
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica.
TO BE PUBLISHED
4OMV
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BU of 4omv by Molmil
Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
分子名称: Macrophage growth locus, subunit A
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-01-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
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
2M11
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Structure of perimidinone-derived synthetic nucleoside paired with guanine in DNA duplex
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(D3N)P*GP*CP*G)-3')
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2012-11-09
公開日2013-06-12
最終更新日2024-05-01
実験手法SOLUTION NMR
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
4EXL
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Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A
分子名称: CHLORIDE ION, MAGNESIUM ION, Phosphate-binding protein pstS 1
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2012-04-30
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A
To be Published
4ERR
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1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5
分子名称: Autotransporter adhesin, BROMIDE ION, CHLORIDE ION
著者Minasov, G, Wawrzak, Z, Geissler, B, Shuvalova, L, Dubrovska, I, Winsor, J, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-20
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5.
TO BE PUBLISHED
4EDP
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1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
分子名称: ABC transporter, substrate-binding protein, ACETATE ION, ...
著者Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-27
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
To be Published
4EQ9
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1.4 Angstrom Crystal Structure of ABC Transporter Glutathione-Binding Protein GshT from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione
分子名称: ABC transporter substrate-binding protein-amino acid transport, GLUTATHIONE
著者Minasov, G, Wawrzak, Z, Stogios, P.J, Light, S.H, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-18
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献1.4 Angstrom Crystal Structure of Putative ABC Transporter Substrate-Binding Protein from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione.
TO BE PUBLISHED
3KSW
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Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
分子名称: 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
登録日2009-11-23
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3KQF
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1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis.
分子名称: CALCIUM ION, CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein
著者Minasov, G, Halavaty, A, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-11-17
公開日2009-11-24
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis.
TO BE PUBLISHED
3KUU
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Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis
分子名称: Phosphoribosylaminoimidazole carboxylase catalytic subunit PurE, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Brunzelle, J.S, Onopriyenko, O, Kwon, K, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-11-27
公開日2009-12-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis
To be Published

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