2M11
 
 | | 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
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4UHI
 | | 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 | 2024-05-08 | | 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
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2RF3
 | | 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
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1W5U
 | | GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | | 分子名称: | CHLORIDE ION, ETHANOL, GRAMICIDIN D, ... | | 著者 | Glowka, M.L, Olczak, A, Bojarska, J, Szczesio, M, Duax, W.L, Burkhart, B.M, Pangborn, W.A, Langs, D.A, Wawrzak, Z. | | 登録日 | 2004-08-10 | | 公開日 | 2005-09-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | 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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8SQ8
 | | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-109 in complex with doripenem | | 分子名称: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase OXA-109 | | 著者 | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | | 登録日 | 2023-05-04 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants.
J.Mol.Biol., 436, 2024
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3ZG2
 | | Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO) | | 分子名称: | (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | 著者 | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | | 登録日 | 2012-12-14 | | 公開日 | 2013-09-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
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3ZG3
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(trifluoromethyl)(pyridin-2-yl)) piperidin-4yl)-N-(4-(trifluoromethyl)phenyl)pyridin-3-amine (EPL- BS967, UDD) | | 分子名称: | N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | 著者 | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | | 登録日 | 2012-12-14 | | 公開日 | 2013-09-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
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5VGC
 | | Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Borek, D, Valleau, D, Skarina, T, Jobin, M.C, Wawrzak, Z, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-04-10 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
To Be Published
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8SQ7
 | | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem | | 分子名称: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ... | | 著者 | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | | 登録日 | 2023-05-04 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants.
J.Mol.Biol., 436, 2024
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2IZQ
 | | Gramicidin D complex with KI | | 分子名称: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | 著者 | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z. | | 登録日 | 2006-07-26 | | 公開日 | 2007-01-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (0.8 Å) | | 主引用文献 | Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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2A43
 | | Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif | | 分子名称: | MAGNESIUM ION, RNA Pseudoknot | | 著者 | Pallan, P.S, Marshall, W.S, Harp, J, Jewett III, F.C, Wawrzak, Z, Brown II, B.A, Rich, A, Egli, M. | | 登録日 | 2005-06-27 | | 公開日 | 2005-09-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif
Biochemistry, 44, 2005
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7TA1
 | | Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid | | 分子名称: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ... | | 著者 | Butrin, A, Wawrzak, Z, Liu, D. | | 登録日 | 2021-12-20 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
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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 | | 分子名称: | (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, ... | | 著者 | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | 登録日 | 2019-08-08 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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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7UWP
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5KKO
 | | A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein | | 分子名称: | Uncharacterised protein | | 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 | 2016-06-22 | | 公開日 | 2016-09-21 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein
To Be Published
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6WQB
 | | 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
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6WQC
 | | 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
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5KVR
 | | X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073 | | 分子名称: | Pyruvate dehydrogenase complex repressor | | 著者 | Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-07-15 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
To Be Published
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8SBI
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4FEW
 | | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2 | | 分子名称: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | | 著者 | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-05-30 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
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7SNM
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5WIF
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis | | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, BORIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2017-07-19 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis
To Be Published
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6U7L
 | | 2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli. | | 分子名称: | CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming) | | 著者 | Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-09-03 | | 公開日 | 2019-11-06 | | 最終更新日 | 2021-01-27 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | 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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7L33
 | | X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | | 分子名称: | COPPER (II) ION, Cu-3SCC | | 著者 | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | | 登録日 | 2020-12-17 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
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6VBB
 | | 2.60 Angstrom Resolution Crystal Structure of Peptidase S41 from Acinetobacter baumannii | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Peptidase S41, ... | | 著者 | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-12-18 | | 公開日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 2.60 Angstrom Resolution Crystal Structure of Peptidase S41 from Acinetobacter baumannii
To Be Published
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