1OC1
| ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE COMPLEX | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | Deposit date: | 2003-02-03 | Release date: | 2004-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate Biochem.J., 372, 2003
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1RXF
| DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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1RXG
| DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ... | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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1HJF
| Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | Authors: | Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J. | Deposit date: | 2001-01-15 | Release date: | 2001-06-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258 J.Biol.Chem., 276, 2001
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1HJG
| Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | Descriptor: | 3-METHYL-2-OXOBUTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | Authors: | Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J. | Deposit date: | 2001-01-15 | Release date: | 2001-06-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258 J.Biol.Chem., 276, 2001
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1IPS
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX) | Descriptor: | ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION | Authors: | Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E. | Deposit date: | 1997-03-21 | Release date: | 1998-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes. Nature, 375, 1995
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1DCS
| DEACETOXYCEPHALOSPORIN C SYNTHASE FROM S. CLAVULIGERUS | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, SULFATE ION | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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1DS1
| CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | Deposit date: | 2000-01-06 | Release date: | 2000-07-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1DRY
| CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE | Descriptor: | 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ... | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | Deposit date: | 2000-01-06 | Release date: | 2000-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1DRT
| CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID | Descriptor: | 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ... | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | Deposit date: | 2000-01-06 | Release date: | 2000-07-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1DS0
| CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE | Descriptor: | ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION | Authors: | Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J. | Deposit date: | 2000-01-06 | Release date: | 2000-07-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Nat.Struct.Biol., 7, 2000
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1E5S
| Proline 3-hydroxylase (type II) - Iron form | Descriptor: | FE (II) ION, PROLINE OXIDASE, SULFATE ION | Authors: | Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K. | Deposit date: | 2000-07-28 | Release date: | 2001-07-26 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases. Eur.J.Biochem., 268, 2001
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1E5R
| Proline 3-hydroxylase (type II) -apo form | Descriptor: | PROLINE OXIDASE | Authors: | Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K. | Deposit date: | 2000-07-28 | Release date: | 2001-07-26 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases. Eur.J.Biochem., 268, 2001
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2BU9
| Isopenicillin N synthase complexed with L-aminoadipoyl-L-cysteinyl-L- hexafluorovaline | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE, FE (III) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Howard-Jones, A.R, Rutledge, P.J, Clifton, I.J, Adlington, R.M, Baldwin, J.E. | Deposit date: | 2005-06-09 | Release date: | 2005-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unique Binding of a Non-Natural L,L,L-Substrate by Isopenicillin N Synthase Biochem.Biophys.Res.Commun., 336, 2005
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1GQW
| Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | Authors: | Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | Deposit date: | 2001-12-05 | Release date: | 2002-04-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates Biochemistry, 41, 2002
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1GY9
| Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | Authors: | Elkins, J.M, Burzlaff, N.I, Ryle, M.J, Lloyd, J.S, Clifton, I.J, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | Deposit date: | 2002-04-22 | Release date: | 2002-04-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates. Biochemistry, 41, 2002
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1W06
| Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe NO Complex | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, HYDROXYAMINE, ... | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-06-01 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry, 44, 2005
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1W03
| Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe Complex | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-06-01 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry, 44, 2005
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1W05
| Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-06-01 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry, 44, 2005
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1W04
| Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe-NO Complex | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, HYDROXYAMINE, ... | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-06-01 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine Biochemistry, 44, 2005
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1W3V
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1W3X
| Isopenicillin N synthase d-(L-a-aminoadipoyl)-(3R)-methyl-L-cysteine D-a-hydroxyisovaleryl ester complex (Oxygen exposed 5 minutes 20 bar) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-HYDROXY-2-METHYLPROPYL]OXY}CARBONYL)-2-MERCAPTOPROP-2-EN-1-YL]-6-OXO-L-LYSINE | Authors: | Daruzzaman, A, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2004-07-20 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase. Chembiochem, 7, 2006
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2Y60
| Isopenicillin N synthase with AC-D-methionine | Descriptor: | FE (III) ION, GLYCEROL, ISOPENICILLIN N SYNTHASE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Ge, W. | Deposit date: | 2011-01-19 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of Isopenicillin N Synthase with Delta((L)-Alpha-Aminoadipoyl)-(L)-Cysteinyl-(D)-Methionine Reveals Thioether Coordination to Iron. Arch.Biochem.Biophys., 516, 2011
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2Y6F
| Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine | Descriptor: | (2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID, FE (III) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Ge, W. | Deposit date: | 2011-01-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Isopenicillin N Synthase Binds Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Thia-Allo-Isoleucine Through Both Sulfur Atoms. Chembiochem, 12, 2011
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3ZKU
| Isopenicillin N synthase with substrate analogue AhCV | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine | Authors: | Daruzzaman, A, Clifton, I.J, Rutledge, P.J. | Deposit date: | 2013-01-24 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Interaction of Isopenicillin N Synthase with Homologated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Homocysteinyl-D-Xaa Characterised by Protein Crystallography. Chembiochem, 14, 2013
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