3TYS
 
 | | Crystal structure of transcriptional regulator VanUg, Form II | | Descriptor: | Predicted transcriptional regulator | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Depardieu, F, Courvalin, P, Shabalin, I, Chruszcz, M, Minor, W, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-26 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.121 Å) | | Cite: | Crystal structure of transcriptional regulator VanUg, Form II
TO BE PUBLISHED
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7L33
 | | X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer | | Descriptor: | COPPER (II) ION, Cu-3SCC | | Authors: | Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. | | Deposit date: | 2020-12-17 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
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7L75
 | | Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans. | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Foldase protein PrsA | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal Structure of Peptidylprolyl Isomerase PrsA from Streptococcus mutans.
To Be Published
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3UN6
 | | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound | | Descriptor: | ABC transporter substrate-binding protein, PHOSPHATE ION, ZINC ION | | Authors: | Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-15 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound.
TO BE PUBLISHED
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3TYR
 | | Crystal structure of transcriptional regulator VanUg, Form I | | Descriptor: | Transcriptional regulator | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Dong, A, Depardieu, F, Courvalin, P, Shabalin, I, Chruszcz, M, Minor, W, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-26 | | Release date: | 2011-10-12 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Crystal structure of transcriptional regulator VanUg, Form I
TO BE PUBLISHED
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3UUW
 | | 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile. | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-28 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile.
TO BE PUBLISHED
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7LJT
 | | Porcine Dihydropyrimidine Dehydrogenase (DPD) soaked with 5-Ethynyluracil (5EU), NADPH - 20 minutes | | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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7LJS
 | | Porcine Dihydropyrimidine dehydrogenase (DPD) complexed with 5-Ethynyluracil (5EU) - Open Form | | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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7LJU
 | | Porcine Dihydropyrimidine Dehydrogenase (DPD) crosslinked with 5-Ethynyluracil (5EU) | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], ... | | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | | Deposit date: | 2021-01-30 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil.
Biochemistry, 60, 2021
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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) | | Descriptor: | (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 | | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | | Deposit date: | 2012-12-14 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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) | | Descriptor: | 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 | | Authors: | Hargrove, T.Y, Wawrzak, Z, Keenan, M, Chatelain, E, Lepesheva, G.I. | | Deposit date: | 2012-12-14 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 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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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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1I0P
 | | 1.3 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-[TRI(OXYETHYL)], MEDIUM K-SALT | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(126)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 (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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1I0Q
 | | 1.3 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE 2'-O-METHYL-[TRI(OXYETHYL)] THYMINE IN PLACE OF T6, MEDIUM NA-SALT | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(126)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 (1.3 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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1I0T
 | | 0.6 A STRUCTURE OF Z-DNA CGCGCG | | Descriptor: | 5'-D(*CP*GP*CP*GP*CP*G)-3', SPERMINE | | 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 (0.6 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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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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1I8D
 | | CRYSTAL STRUCTURE OF RIBOFLAVIN SYNTHASE | | Descriptor: | RIBOFLAVIN SYNTHASE | | Authors: | Liao, D.-I, Wawrzak, Z, Calabrese, J.C, Viitanen, P.V, Jordan, D.B. | | Deposit date: | 2001-03-13 | | Release date: | 2001-09-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of riboflavin synthase.
Structure, 9, 2001
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6MCW
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114 | | Descriptor: | 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | Deposit date: | 2018-09-02 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
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6MI0
 | | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state | | Descriptor: | Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | | Deposit date: | 2018-09-18 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
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