2VE1
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![BU of 2ve1 by Molmil](/molmil-images/mine/2ve1) | Isopenicillin N synthase with substrate analogue AsMCOV (oxygen exposed 1min 20bar) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine, ... | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-10-15 | Release date: | 2008-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with a Sterically Demanding Depsipeptide Substrate Analogue. Chembiochem, 10, 2009
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2VCM
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![BU of 2vcm by Molmil](/molmil-images/mine/2vcm) | Isopenicillin N synthase with substrate analogue AsMCOV | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine, ... | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with a Sterically Demanding Depsipeptide Substrate Analogue. Chembiochem, 10, 2009
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2VBP
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![BU of 2vbp by Molmil](/molmil-images/mine/2vbp) | Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine, ... | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-14 | Release date: | 2008-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase. Biochem.Biophys.Res.Commun., 398, 2010
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2VBD
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![BU of 2vbd by Molmil](/molmil-images/mine/2vbd) | Isopenicillin N synthase with substrate analogue L,L,L-ACOMP (unexposed) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-10 | Release date: | 2008-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of an Lll-Configured Depsipeptide Substrate Analogue Bound to Isopenicillin N Synthase. Org.Biomol.Chem., 8, 2010
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2VBB
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![BU of 2vbb by Molmil](/molmil-images/mine/2vbb) | Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure) | Descriptor: | FE (II) ION, GLYCEROL, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-07 | Release date: | 2008-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase? J.Am.Chem.Soc., 130, 2008
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2VAU
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![BU of 2vau by Molmil](/molmil-images/mine/2vau) | Isopenicillin N synthase with substrate analogue ACOMP (unexposed) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2007-09-04 | Release date: | 2008-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase? J.Am.Chem.Soc., 130, 2008
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2JB8
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![BU of 2jb8 by Molmil](/molmil-images/mine/2jb8) | Deacetoxycephalosporin C synthase complexed with 5-hydroxy-4-keto valeric acid | Descriptor: | 4,5-DIOXOPENTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (III) ION | Authors: | Cicero, G, Carbonera, C, Valegard, K, Hajdu, J, Andersson, I, Ranghino, G. | Deposit date: | 2006-12-05 | Release date: | 2008-02-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Study of the Oxidative Half-Reaction Catalysed by a Non-Heme Ferrous Catalytic Centre by Means of Structural and Computational Methodologies Int.J.Quantum Chem., 107, 2007
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2JB4
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![BU of 2jb4 by Molmil](/molmil-images/mine/2jb4) | Isopenicillin N synthase with a 2-thiabicycloheptan-6-one product analogue | Descriptor: | (1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID, FE (III) ION, GLYCEROL, ... | Authors: | Stewart, A.C, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-12-01 | Release date: | 2007-10-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Cyclobutanone Analogue Mimics Penicillin in Binding to Isopenicillin N Synthase. Chembiochem, 8, 2007
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2IVJ
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![BU of 2ivj by Molmil](/molmil-images/mine/2ivj) | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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2IVI
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![BU of 2ivi by Molmil](/molmil-images/mine/2ivi) | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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2BRT
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![BU of 2brt by Molmil](/molmil-images/mine/2brt) | ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LEUCOANTHOCYANIDIN DIOXYGENASE, ... | Authors: | Turnbull, J.J, Clifton, I.J, Welford, R.W.D, Schofield, C.J. | Deposit date: | 2005-05-11 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism Org.Biomol.Chem., 3, 2005
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2BJS
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![BU of 2bjs by Molmil](/molmil-images/mine/2bjs) | Isopenicillin N synthase C-terminal truncation mutant | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHETASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | McNeill, L.A, Sami, M, Clifton, I.J, Burzlaff, N.I. | Deposit date: | 2005-02-07 | Release date: | 2006-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Terminally Truncated Isopenicillin N Synthase Generates a Dithioester Product: Evidence for a Thioaldehyde Intermediate during Catalysis and a New Mode of Reaction for Non-Heme Iron Oxidases. Chemistry, 23, 2017
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1W3V
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![BU of 1w3v by Molmil](/molmil-images/mine/1w3v) | |
1W3X
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![BU of 1w3x by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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1WA6
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![BU of 1wa6 by Molmil](/molmil-images/mine/1wa6) | The structure of ACC oxidase | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, FE (II) ION, PHOSPHATE ION, ... | Authors: | Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J. | Deposit date: | 2004-10-25 | Release date: | 2005-10-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme) Chem.Biol., 11, 2004
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1W9Y
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![BU of 1w9y by Molmil](/molmil-images/mine/1w9y) | The structure of ACC oxidase | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE OXIDASE 1, SULFATE ION | Authors: | Zhang, Z, Ren, J.-S, Clifton, I.J, Schofield, C.J. | Deposit date: | 2004-10-20 | Release date: | 2005-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure and Mechanistic Implications of 1-Aminocyclopropane-1-Carboxylic Acid Oxidase (the Ethyling Forming Enzyme) Chem.Biol., 11, 2004
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2BU9
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![BU of 2bu9 by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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1W03
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![BU of 1w03 by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
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![BU of 1w05 by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
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![BU of 1w04 by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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1W06
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![BU of 1w06 by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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1W2O
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![BU of 1w2o by Molmil](/molmil-images/mine/1w2o) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2A
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![BU of 1w2a by Molmil](/molmil-images/mine/1w2a) | Deacetoxycephalosporin C synthase (with his-tag) complexed with Fe(II) and ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-01 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W28
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![BU of 1w28 by Molmil](/molmil-images/mine/1w28) | Conformational flexibility of the C-terminus with implications for substrate binding and catalysis in a new crystal form of deacetoxycephalosporin C synthase | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-06-30 | Release date: | 2004-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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1W2N
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![BU of 1w2n by Molmil](/molmil-images/mine/1w2n) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin | Descriptor: | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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