7RTQ
| Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | Descriptor: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | Authors: | Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z. | Deposit date: | 2021-08-13 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition. J.Med.Chem., 64, 2021
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7SNM
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7TA1
| Human Ornithine Aminotransferase (hOAT) soaked with gamma-Aminobutyric acid | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Wawrzak, Z, Liu, D. | Deposit date: | 2021-12-20 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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3IR4
| 1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium in complex with Glutathione | Descriptor: | CHLORIDE ION, GLUTATHIONE, Glutaredoxin 2, ... | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Halavaty, A, Dauter, Z, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-21 | Release date: | 2009-09-01 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium in complex with Glutathione. TO BE PUBLISHED
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5FSA
| Crystal structure of sterol 14-alpha demethylase (CYP51) from a pathogenic yeast Candida albicans in complex with the antifungal drug posaconazole | Descriptor: | CYP51 VARIANT1, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T.Y, Wawrzak, Z, Friggeri, L, Lepesheva, G.I. | Deposit date: | 2016-01-02 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis. J. Biol. Chem., 292, 2017
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5FRB
| Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598 | Descriptor: | (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2015-12-16 | Release date: | 2017-04-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity. Antimicrob. Agents Chemother., 61, 2017
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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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5I0C
| Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12 | Descriptor: | CADMIUM ION, NICKEL (II) ION, PHOSPHATE ION, ... | Authors: | Filippova, E.V, Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-02-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12 To Be Published
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5IQJ
| 1.9 Angstrom Crystal Structure of Protein with Unknown Function from Vibrio cholerae. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Skarina, T, Seed, K.D, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-03-10 | Release date: | 2016-03-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 Angstrom Crystal Structure of Protein with Unknown Function from Vibrio cholerae. To Be Published
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4W8K
| Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | Descriptor: | Cas1 protein, POTASSIUM ION | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-08-25 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | To be published To Be Published
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6CN0
| 2.95 Angstrom Crystal Structure of 16S rRNA Methylase from Proteus mirabilis | Descriptor: | 16S rRNA (guanine(1405)-N(7))-methyltransferase, CHLORIDE ION, CITRIC ACID, ... | Authors: | Minasov, G, Wawrzak, Z, Di Leo, R, Evdokimova, E, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-03-06 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | 2.95 Angstrom Crystal Structure of 16S rRNA Methylase from Proteus mirabilis. To Be Published
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6CR2
| Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | Descriptor: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2018-03-16 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis. J. Med. Chem., 61, 2018
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6CZP
| 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB from Vibrio vulnificus in Complex with FMN | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-09 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | 2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB from Vibrio vulnificus in Complex with FMN. To Be Published
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6D7A
| Structure of T. gondii PLP1 beta-rich domain | Descriptor: | Perforin-like protein 1, SODIUM ION | Authors: | Guerra, A.J, Koropatkin, N.M, Wawrzak, Z, Bahr, C.M.E, Carruthers, V.B. | Deposit date: | 2018-04-24 | Release date: | 2018-05-16 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Structural basis of Toxoplasma gondii perforin-like protein 1 membrane interaction and activity during egress. PLoS Pathog., 14, 2018
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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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6FMO
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1G58
| CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE GOLD DERIVATIVE | Descriptor: | 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE, GOLD ION | Authors: | Liao, D.-I, Calabrese, J.C, Wawrzak, Z, Viitanen, P.V, Jordan, D.B. | Deposit date: | 2000-10-30 | Release date: | 2001-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of riboflavin biosynthesis. Structure, 9, 2001
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1G57
| CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE | Descriptor: | 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE, CESIUM ION | Authors: | Liao, D.-I, Calabrese, J.C, Wawrzak, Z, Viitanen, P.V, Jordan, D.B. | Deposit date: | 2000-10-30 | Release date: | 2001-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of riboflavin biosynthesis. Structure, 9, 2001
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1I0F
| 1.6 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-AMINOOXYETHYL THYMINE IN PLACE OF T6, BA-FORM | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(127)P*AP*CP*GP*C)-3', BARIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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1I0G
| 1.45 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-FLUOROETHYL THYMINE IN PLACE OF T6, MEDIUM NA-SALT | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(125)P*AP*CP*GP*C)-3', SODIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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1I0J
| 1.06 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-3'-METHYLENEPHOSPHONATE (T23) THYMINE IN PLACE OF T6, HIGH CS-SALT | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(T23)P*AP*CP*GP*C)-3', CESIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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1I0K
| 1.05 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-[TRI(OXYETHYL)] THYMINE IN PLACE OF T6, MEDIUM CS-SALT | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3', CESIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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1I0M
| 1.05 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-FLUOROETHYL THYMINE IN PLACE OF T6, HIGH RB-SALT | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(125)P*AP*CP*GP*C)-3', RUBIDIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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1I0O
| 1.6 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-3'-METHYLENEPHOSPHONATE THYMINE IN PLACE OF T6, HIGH K-SALT | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(T23)P*AP*CP*GP*C)-3', POTASSIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments Nucleic Acids Res., 29, 2001
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1I0N
| 1.3 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-[TRI(OXYETHYL)] THYMINE IN PLACE OF T6, MEDIUM RB-SALT | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3', RUBIDIUM ION | Authors: | Tereshko, V, Wilds, C.J, Minasov, G, Prakash, T.P, Maier, M.A, Howard, A, Wawrzak, Z, Manoharan, M, Egli, M. | Deposit date: | 2001-01-29 | Release date: | 2001-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Detection of alkali metal ions in DNA crystals using state-of-the-art X-ray diffraction experiments. Nucleic Acids Res., 29, 2001
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