1PZK
| Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h | Descriptor: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE | Authors: | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | Deposit date: | 2003-07-11 | Release date: | 2004-03-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies Bioorg.Med.Chem., 12, 2004
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1PZJ
| Cholera Toxin B-Pentamer Complexed With Nitrophenyl Galactoside 5 | Descriptor: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-ALPHA-BENZAMIDE, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE | Authors: | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | Deposit date: | 2003-07-11 | Release date: | 2004-03-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies Bioorg.Med.Chem., 12, 2004
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1PZI
| Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a | Descriptor: | Heat-labile Enterotoxin B subunit, N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE | Authors: | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | Deposit date: | 2003-07-11 | Release date: | 2004-03-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies Bioorg.Med.Chem., 12, 2004
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1E2O
| CATALYTIC DOMAIN FROM DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE | Descriptor: | DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE, SULFATE ION | Authors: | Knapp, J.E, Mitchell, D.T, Yazdi, M.A, Ernst, S.R, Reed, L.J, Hackert, M.L. | Deposit date: | 1998-05-26 | Release date: | 1998-12-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the truncated cubic core component of the Escherichia coli 2-oxoglutarate dehydrogenase multienzyme complex. J.Mol.Biol., 280, 1998
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1AW7
| Q136A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-11 | Release date: | 1998-10-28 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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8AGM
| Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGS
| Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site | Descriptor: | 1,2-ETHANEDIOL, 2-CHLOROPHENOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGN
| Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGP
| Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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3C1Q
| The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Abendroth, J, Mitchell, D.D, Korotkov, K.V, Kreeger, A, Hol, W.G.J. | Deposit date: | 2008-01-24 | Release date: | 2009-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The three-dimensional structure of the cytoplasmic domains of EpsF from the type 2 secretion system of Vibrio cholerae J.Struct.Biol., 166, 2009
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7Q9Z
| Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | Descriptor: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. To Be Published
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7Q9X
| Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | Descriptor: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. To Be Published
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5JPL
| LP2006, a handcuff-topology lasso peptide antibiotic | Descriptor: | Uncharacterized protein | Authors: | Tietz, J.I, Schwalen, C.J, Blair, P.M, Zakai, U.I, Mitchell, D.A. | Deposit date: | 2016-05-03 | Release date: | 2017-03-01 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A new genome-mining tool redefines the lasso peptide biosynthetic landscape. Nat. Chem. Biol., 13, 2017
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6F1H
| C1rC1s complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-22 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F1C
| C1rC1s complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F39
| C1r homodimer CUB1-EGF-CUB2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-28 | Release date: | 2018-01-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (5.801 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5TSS
| TOXIC SHOCK SYNDROME TOXIN-1: ORTHORHOMBIC P222(1) CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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4TSS
| TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1, ZINC ION | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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3TSS
| TOXIC SHOCK SYNDROME TOXIN-1 TETRAMUTANT, P2(1) CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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2TSS
| TOXIC SHOCK SYNDROME TOXIN-1 FROM STAPHYLOCOCCUS AUREUS: ORTHORHOMBICC222(1) CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-04 | Release date: | 1997-12-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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1TS5
| I140T MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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6F1D
| CUB2 domain of C1r | Descriptor: | CALCIUM ION, Complement C1r subcomponent, SODIUM ION | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1HLB
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1TS4
| Q139K MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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7JS6
| Solution NMR structure of des-citrulassin F | Descriptor: | des-citrulassin F | Authors: | Harris, L.A, Mitchell, D.A. | Deposit date: | 2020-08-13 | Release date: | 2020-12-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Reactivity-Based Screening for Citrulline-Containing Natural Products Reveals a Family of Bacterial Peptidyl Arginine Deiminases. Acs Chem.Biol., 15, 2020
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