6BNC
| Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant di-zinc and PEG complex | Descriptor: | CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-11-16 | Release date: | 2018-01-31 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis. ACS Chem. Biol., 13, 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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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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6BNF
| Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, mono-zinc complex | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-11-16 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis. ACS Chem. Biol., 2018
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5E31
| 2.3 Angstrom Crystal Structure of the Monomeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. | Descriptor: | Penicillin binding protein 2 prime | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Filippova, E, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-10-01 | Release date: | 2015-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2.3 Angstrom Crystal Structure of the Monomeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. To Be Published
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5DVY
| 2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Penicillin binding protein 2 prime, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Filippova, E, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-21 | Release date: | 2015-10-07 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | 2.95 Angstrom Crystal Structure of the Dimeric Form of Penicillin Binding Protein 2 Prime from Enterococcus faecium. To Be Published
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5EQ4
| Crystal structure of the SrpA adhesin R347E mutant from Streptococcus sanguinis | Descriptor: | ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein | Authors: | Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M. | Deposit date: | 2015-11-12 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin. J.Biol.Chem., 291, 2016
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5EQ2
| Crystal Structure of the SrpA Adhesin from Streptococcus sanguinis | Descriptor: | ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein | Authors: | Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M. | Deposit date: | 2015-11-12 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin. J.Biol.Chem., 291, 2016
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5EQ3
| Crystal structure of the SrpA adhesin from Streptococcus sanguinis with a sialyl galactose disaccharide bound | Descriptor: | ACETATE ION, CALCIUM ION, N-glycolyl-alpha-neuraminic acid-(2-3)-methyl beta-D-galactopyranoside, ... | Authors: | Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M. | Deposit date: | 2015-11-12 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin. J.Biol.Chem., 291, 2016
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5DZS
| 1.5 Angstrom Crystal Structure of Shikimate Dehydrogenase 1 from Peptoclostridium difficile. | Descriptor: | SULFATE ION, Shikimate dehydrogenase (NADP(+)) | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-26 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 1.5 Angstrom Crystal Structure of Shikimate Dehydrogenase 1 from Peptoclostridium difficile. To Be Published
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5F2H
| 2.75 Angstrom resolution crystal structure of uncharacterized protein from Bacillus cereus ATCC 10987 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Uncharacterized protein | Authors: | Halavaty, A.S, Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-12-01 | Release date: | 2015-12-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Bacillus cereus ATCC 10987 To Be Published
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5CRF
| Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis | Descriptor: | PHOSPHATE ION, Penicillin-binding protein 1A | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-22 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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6AOO
| 2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae | Descriptor: | Malate dehydrogenase, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-08-16 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae. To Be Published
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5D6A
| 2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP) | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Predicted ATPase of the ABC class, SODIUM ION | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-08-11 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP) To Be Published
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6B3P
| Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K in Complex with Maltoheptaose | Descriptor: | 1,2-ETHANEDIOL, Amy13K, FORMIC ACID, ... | Authors: | Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. | Deposit date: | 2017-09-22 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut. Mol. Microbiol., 107, 2018
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6AZI
| 1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid | Descriptor: | BORATE ION, D-alanyl-D-alanine endopeptidase | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-09-11 | Release date: | 2017-10-04 | Last modified: | 2023-05-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 1.75 Angstrom Resolution Crystal Structure of D-alanyl-D-alanine Endopeptidase from Enterobacter cloacae in Complex with Covalently Bound Boronic Acid. To be Published
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6AON
| 1.72 Angstrom Resolution Crystal Structure of 2-Oxoglutarate Dehydrogenase Complex Subunit Dihydrolipoamide Dehydrogenase from Bordetella pertussis in Complex with FAD | Descriptor: | CALCIUM ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, McChesney, C, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-08-16 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | 1.72 Angstrom Resolution Crystal Structure of 2-Oxoglutarate Dehydrogenase Complex Subunit Dihydrolipoamide Dehydrogenase from Bordetella pertussis in Complex with FAD To Be Published
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6AZ5
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6BAL
| 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, CHLORIDE ION, Malate dehydrogenase | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Satchell, K.J.F, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-10-13 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2.1 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae in Complex with L-Malate To Be Published
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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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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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6B15
| Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K | Descriptor: | 1,2-ETHANEDIOL, Amy13K | Authors: | Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. | Deposit date: | 2017-09-16 | Release date: | 2017-11-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut. Mol. Microbiol., 107, 2018
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6B8W
| 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae. | Descriptor: | MANGANESE (II) ION, THIOCYANATE ION, XRE family transcriptional regulator | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, McChesney, C, Grimshaw, S, Sandoval, J, Satchell, K.J.F, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-10-09 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae. To Be Published
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6BND
| Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-11-16 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis. ACS Chem. Biol., 13, 2018
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