6STD
 
 | | SCYTALONE DEHYDRATASE PLUS INHIBITOR 3 | | Descriptor: | 2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE, CALCIUM ION, Scytalone dehydratase | | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | | Deposit date: | 1999-02-11 | | Release date: | 1999-12-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
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5STD
 | | SCYTALONE DEHYDRATASE PLUS INHIBITOR 2 | | Descriptor: | (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE, CALCIUM ION, Scytalone dehydratase | | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | | Deposit date: | 1999-02-10 | | Release date: | 1999-12-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
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7STD
 | | SCYTALONE DEHYDRATASE PLUS INHIBITOR 4 | | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, CALCIUM ION, Scytalone dehydratase | | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | | Deposit date: | 1999-02-11 | | Release date: | 1999-12-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
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5AJR
 | | 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) | | Descriptor: | (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 | | Authors: | Wawrzak, Z, Hoekstra, W, I Lepesheva, G. | | Deposit date: | 2015-02-26 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 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
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4STD
 | | HIGH RESOLUTION STRUCTURES OF SCYTALONE DEHYDRATASE-INHIBITOR COMPLEXES CRYSTALLIZED AT PHYSIOLOGICAL PH | | Descriptor: | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE, Scytalone dehydratase | | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | | Deposit date: | 1999-02-10 | | Release date: | 1999-12-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
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4H6O
 | | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | | Descriptor: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
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4EVM
 | | 1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A | | Descriptor: | Thioredoxin family protein | | Authors: | Wawrzak, Z, Stogios, P.J, Minasov, G, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-26 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.506 Å) | | Cite: | 1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
To be Published
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1W5U
 | | GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | | Descriptor: | CHLORIDE ION, ETHANOL, GRAMICIDIN D, ... | | Authors: | Glowka, M.L, Olczak, A, Bojarska, J, Szczesio, M, Duax, W.L, Burkhart, B.M, Pangborn, W.A, Langs, D.A, Wawrzak, Z. | | Deposit date: | 2004-08-10 | | Release date: | 2005-09-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structure of Gramicidin D-Rbcl Complex at Atomic Resolution from Low-Temperature Synchrotron Data: Interactions of Double-Stranded Gramicidin Channel Contents and Cations with Channel Wall
Acta Crystallogr.,Sect.D, 61, 2005
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1N1O
 | | Crystal Structure of a B-form DNA Duplex Containing (L)-alpha-threofuranosyl (3'-2') Nucleosides: A Four-Carbon Sugar is Easily Accommodated into the Backbone of DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*(TFT)P*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Wilds, C.J, Wawrzak, Z, Krishnamurthy, R, Eschenmoser, A, Egli, M. | | Deposit date: | 2002-10-18 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of a B-Form DNA Duplex Containing (L)-alpha-Threofuranosyl (3'-->2') Nucleosides: A
Four-Carbon Sugar Is Easily Accommodated into the Backbone of DNA
J.Am.Chem.Soc., 124, 2002
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4ZV9
 | | 2.00 Angstrom resolution crystal structure of an uncharacterized protein from Escherichia coli O157:H7 str. Sakai | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Filippova, E.V, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-05-18 | | Release date: | 2015-06-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.00 Angstrom resolution crystal structure of an uncharacterized protein from Escherichia coli O157:H7 str. Sakai
To Be Published
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2RF3
 | | Crystal Structure of Tricyclo-DNA: An Unusual Compensatory Change of Two Adjacent Backbone Torsion Angles | | Descriptor: | 5'-d(CGCG(TCY)ATTCGCG)-3', SPERMINE, ZINC ION | | Authors: | Pallan, P.S, Ittig, D, Heroux, A, Wawrzak, Z, Leumann, C.J, Egli, M. | | Deposit date: | 2007-09-27 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles.
Chem.Commun.(Camb.), 2008, 2008
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4PUP
 | | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Burkholderia cenocepacia J2315 | | Descriptor: | Uncharacterized protein | | Authors: | Halavaty, A.S, Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Minasov, G, Jedrzejczak, R, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-03-13 | | Release date: | 2014-04-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Burkholderia cenocepacia J2315
To be Published
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3LYL
 | | Structure of 3-oxoacyl-acylcarrier protein reductase, FabG from Francisella tularensis | | Descriptor: | 3-oxoacyl-(Acyl-carrier-protein) reductase | | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-02-27 | | Release date: | 2010-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of 3-oxoacyl-acylcarrier protein reductase, FabG from Francisella tularensis
TO BE PUBLISHED
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3MGA
 | | 2.4 Angstrom Crystal Structure of Ferric Enterobactin Esterase (fes) from Salmonella typhimurium | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Enterochelin esterase, ... | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-04-05 | | Release date: | 2010-04-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4 Angstrom Crystal Structure of Ferric Enterobactin Esterase (fes) from Salmonella typhimurium.
TO BE PUBLISHED
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4UHL
 | | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP | | Descriptor: | 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 | | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | | Deposit date: | 2015-03-24 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
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4UHI
 | | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP | | Descriptor: | 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 | | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | | Deposit date: | 2015-03-24 | | Release date: | 2016-06-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
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5I4C
 | | Crystal structure of non-phosphorylated receiver domain of the stress response regulator RcsB from Escherichia coli | | Descriptor: | Transcriptional regulatory protein RcsB | | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Ruan, J, Pshenychnyi, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-11 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of nonphosphorylated receiver domain of the stress response regulator RcsB from Escherichia coli.
Protein Sci., 25, 2016
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6DXN
 | | 1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae. | | Descriptor: | TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-06-29 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6Q2T
 | | Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Lanosterol 14-alpha demethylase, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, ... | | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2019-08-08 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Validation of Human Sterol 14 alpha-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.
J.Med.Chem., 62, 2019
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4UYM
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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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4H4N
 | | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | 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) | | Deposit date: | 2012-09-17 | | Release date: | 2012-09-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis.
TO BE PUBLISHED
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2A43
 | | Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif | | Descriptor: | MAGNESIUM ION, RNA Pseudoknot | | Authors: | Pallan, P.S, Marshall, W.S, Harp, J, Jewett III, F.C, Wawrzak, Z, Brown II, B.A, Rich, A, Egli, M. | | Deposit date: | 2005-06-27 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif
Biochemistry, 44, 2005
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2M11
 | | Structure of perimidinone-derived synthetic nucleoside paired with guanine in DNA duplex | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(D3N)P*GP*CP*G)-3') | | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | | Deposit date: | 2012-11-09 | | Release date: | 2013-06-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction.
Nucleic Acids Res., 41, 2013
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2IZQ
 | | Gramicidin D complex with KI | | Descriptor: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | Authors: | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z. | | Deposit date: | 2006-07-26 | | Release date: | 2007-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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