5J8G
| Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid | Descriptor: | 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W. | Deposit date: | 2016-04-07 | Release date: | 2017-05-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase. Structure, 25, 2017
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5J8D
| Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID ADENINE DINUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | Deposit date: | 2016-04-07 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase. Structure, 25, 2017
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1KQD
| Structure of Nitroreductase from E. cloacae Bound with 2e-Reduced Flavin Mononucleotide (FMN) | Descriptor: | FLAVIN MONONUCLEOTIDE, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | Deposit date: | 2002-01-04 | Release date: | 2002-02-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of nitroreductase in three states: effects of inhibitor binding and reduction. J.Biol.Chem., 277, 2002
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1KQB
| Structure of Nitroreductase from E. cloacae complex with inhibitor benzoate | Descriptor: | BENZOIC ACID, FLAVIN MONONUCLEOTIDE, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | Deposit date: | 2002-01-04 | Release date: | 2002-02-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of nitroreductase in three states: effects of inhibitor binding and reduction. J.Biol.Chem., 277, 2002
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1KQC
| Structure of Nitroreductase from E. cloacae Complex with Inhibitor Acetate | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | Deposit date: | 2002-01-04 | Release date: | 2002-02-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of nitroreductase in three states: effects of inhibitor binding and reduction. J.Biol.Chem., 277, 2002
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7M5F
| Contact-dependent inhibition system from Serratia marcescens BWH57 | Descriptor: | CdiI, MALONATE ION, Toxin CdiA | Authors: | Michalska, K, Nutt, W, Stols, L, Jedrzejczak, R, Hayes, C.S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-03-23 | Release date: | 2021-05-12 | Last modified: | 2021-08-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Contact-dependent inhibition system from Serratia marcescens To Be Published
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6GT3
| Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | Deposit date: | 2018-06-15 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity J Immunother Cancer, 2020
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5I4R
| Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (trypsin-modified) | Descriptor: | Contact-dependent inhibitor A, Contact-dependent inhibitor I, Elongation factor Tu, ... | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2016-02-12 | Release date: | 2017-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs. Nucleic Acids Res., 45, 2017
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8SSM
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8SSK
| Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains | Descriptor: | ACETATE ION, CALCIUM ION, Contact-dependent inhibitor A, ... | Authors: | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Nhan, D.Q. | Deposit date: | 2023-05-08 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains To Be Published
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8SX0
| Bordetella filamentous hemagglutinin (FhaB) C-terminal domain | Descriptor: | CALCIUM ION, Filamentous hemagglutinin, GLYCEROL, ... | Authors: | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Costello, M.S. | Deposit date: | 2023-05-19 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain To Be Published
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8EY4
| Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, PT-VENN domain-containing protein | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 To Be Published
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6CP9
| Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342 | Descriptor: | CdiA, CdiI | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2018-03-13 | Release date: | 2019-03-13 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins. Structure, 27, 2019
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8EY3
| Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 To Be Published
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5I4Q
| Contact-dependent inhibition system from Escherichia coli NC101 - ternary CdiA/CdiI/EF-Tu complex (domains 2 and 3) | Descriptor: | CHLORIDE ION, Contact-dependent inhibitor A, Contact-dependent inhibitor I, ... | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2016-02-12 | Release date: | 2017-06-28 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of a novel antibacterial toxin that exploits elongation factor Tu to cleave specific transfer RNAs. Nucleic Acids Res., 45, 2017
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6CP8
| Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CdiA, CdiI, ... | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2018-03-13 | Release date: | 2019-03-13 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins. Structure, 27, 2019
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4Q7O
| The crystal structure of an immunity protein NMB0503 from Neisseria meningitidis MC58 | Descriptor: | BROMIDE ION, FORMIC ACID, Immunity protein | Authors: | Tan, K, Stols, L, Eschenfeldt, W, Babnigg, G, Low, D.A, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2014-04-25 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of a contact-dependent growth-inhibition (CDI) immunity protein from Neisseria meningitidis MC58. Acta Crystallogr F Struct Biol Commun, 71, 2015
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5T87
| Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424 | Descriptor: | CdiA toxin, CdiI immunity protein | Authors: | Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-09-06 | Release date: | 2017-09-13 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016). Proteins, 86 Suppl 1, 2018
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6VEK
| Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006, full-length | Descriptor: | contact-dependent immunity protein CdiI, contact-dependent toxin CdiA | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-01-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006, full-length To Be Published
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5T86
| Crystal structure of CDI complex from E. coli A0 34/86 | Descriptor: | ACETATE ION, CdiA toxin, CdiI immunity protein | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-09-06 | Release date: | 2017-09-13 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of CDI complex from E. coli A0 34/86 To Be Published
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7UBZ
| Chymotrypsin digested toxin/immunity complex for a T6SS lipase effector from E. cloacae | Descriptor: | Ankyrin repeat domain-containing protein, CITRATE ANION, GLYCEROL, ... | Authors: | Cuthbert, B.J, Jensen, S.J, Goulding, C.W, Hayes, C.S. | Deposit date: | 2022-03-15 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Toxin/immunity complex for a T6SS lipase effector from E. cloacae To Be Published
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4G6V
| CdiA-CT/CdiI toxin and immunity complex from Burkholderia pseudomallei | Descriptor: | Adhesin/hemolysin, BROMIDE ION, CdiI | Authors: | Morse, R.P, Nikolakakis, K, Willet, J, Gerrick, E, Low, D.A, Hayes, C.S, Goulding, C.W. | Deposit date: | 2012-07-19 | Release date: | 2012-12-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis of toxicity and immunity in contact-dependent growth inhibition (CDI) systems. Proc.Natl.Acad.Sci.USA, 109, 2012
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4G6U
| CdiA-CT/CdiI toxin and immunity complex from Escherichia coli | Descriptor: | ACETATE ION, CHLORIDE ION, EC869 CdiA-CT, ... | Authors: | Morse, R.P, Nikolakakis, K, Willet, J, Gerrick, E, Low, D.A, Hayes, C.S, Goulding, C.W. | Deposit date: | 2012-07-19 | Release date: | 2012-12-12 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Structural basis of toxicity and immunity in contact-dependent growth inhibition (CDI) systems. Proc.Natl.Acad.Sci.USA, 109, 2012
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1Y9L
| The X-ray structure of an secretion system protein | Descriptor: | ACETATE ION, Lipoprotein mxiM, UNDECANE | Authors: | Lario, P.I, Pfuetzer, R.A, Frey, E.A, Creagh, L, Haynes, C, Maurelli, A.T, Strynadka, N.C. | Deposit date: | 2004-12-15 | Release date: | 2005-04-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and biochemical analysis of a secretin pilot protein. Embo J., 24, 2005
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4ND8
| Av Nitrogenase MoFe Protein High pH Form | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Yang, K.-Y, Haynes, C.A, Spatzal, T, Rees, D.C, Howard, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Turnover-Dependent Inactivation of the Nitrogenase MoFe-Protein at High pH. Biochemistry, 53, 2014
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