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5STD
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BU of 5std by Molmil
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
6STD
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BU of 6std by Molmil
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
7STD
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BU of 7std by Molmil
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
4STD
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BU of 4std by Molmil
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
4EVM
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BU of 4evm by Molmil
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
5AJR
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BU of 5ajr by Molmil
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
4H6O
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BU of 4h6o by Molmil
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
6Q2T
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BU of 6q2t by Molmil
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
2A43
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BU of 2a43 by Molmil
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
1TW7
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BU of 1tw7 by Molmil
Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target
Descriptor: SODIUM ION, protease
Authors:Martin, P, Vickrey, J.F, Proteasa, G, Jimenez, Y.L, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C.
Deposit date:2004-06-30
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target
Structure, 13, 2005
2M11
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BU of 2m11 by Molmil
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:2013-09-11
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
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
Descriptor: Sensor protein kinase WalK
Authors:Ji, Q, Wawrzak, Z, He, C.
Deposit date:2015-03-21
Release date:2016-03-30
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.
Nat Commun, 7, 2016
2RF3
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BU of 2rf3 by Molmil
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
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2023-04-03
Release date:2023-04-12
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
5KKO
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BU of 5kko by Molmil
A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein
Descriptor: Uncharacterised protein
Authors:Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-06-22
Release date:2016-09-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein
To Be Published
5KVR
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BU of 5kvr by Molmil
X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
Descriptor: Pyruvate dehydrogenase complex repressor
Authors:Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-15
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
To Be Published
3ETF
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BU of 3etf by Molmil
Crystal structure of a putative succinate-semialdehyde dehydrogenase from salmonella typhimurium lt2
Descriptor: Putative succinate-semialdehyde dehydrogenase
Authors:Brunzelle, J.S, Evdokimova, E, Kudritska, M, Wawrzak, Z, Anderson, W.F, Savchenk, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2008-10-07
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and activity of the NAD(P)(+) -dependent succinate semialdehyde dehydrogenase YneI from Salmonella typhimurium.
Proteins, 81, 2013
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)
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 14a-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2022-09-21
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based inhibitor VT-1161
to be published
1TP5
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BU of 1tp5 by Molmil
Crystal structure of PDZ3 domain of PSD-95 protein complexed with a peptide ligand KKETWV
Descriptor: LYS-LYS-GLU-THR-TRP-VAL peptide ligand, Presynaptic density protein 95
Authors:Saro, D, Wawrzak, Z, Martin, P, Vickrey, J, Paredes, A, Kovari, L, Spaller, M.
Deposit date:2004-06-15
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of the third PDZ domain of PSD-95 protein complexed with KKETWV peptide ligand
To be Published
1TQ3
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BU of 1tq3 by Molmil
Higher resolution crystal structure of the third PDZ domain of post synaptic PSD-95 protein
Descriptor: Presynaptic density protein 95
Authors:Saro, D, Vickrey, J, Wawrzak, Z, Kovari, L, Spaller, M.
Deposit date:2004-06-16
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Higher resolution crystal structure of the third PDZ domain of post synaptic PSD-95 protein.
To be Published
4Z8Z
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BU of 4z8z by Molmil
Crystal structure of the hypothetical protein from Ruminiclostridium thermocellum ATCC 27405
Descriptor: Uncharacterized protein
Authors:Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Endres, M, Joachimiak, J, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-04-09
Release date:2015-05-06
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the hypothetical protein from Ruminiclostridium thermocellum ATCC 27405
To Be Published
4ZV9
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BU of 4zv9 by Molmil
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
1VRO
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BU of 1vro by Molmil
Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure
Descriptor: 5'-D(*CP*(GMS)P*CP*GP*CP*G)-3', MAGNESIUM ION, SPERMINE
Authors:Wilds, C.J, Pattanayek, R, Pan, C, Wawrzak, Z, Egli, M.
Deposit date:2005-04-14
Release date:2005-04-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Selenium-Assisted Nucleic Acid Crystallography: Use of Phosphoroselenoates for MAD Phasing of a DNA Structure
J.Am.Chem.Soc., 124, 2002
1W5U
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BU of 1w5u by Molmil
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
6U7L
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BU of 6u7l by Molmil
2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli.
Descriptor: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming)
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Protein Sci., 29, 2020

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