2WO7
 
 | | Isopenicillin N synthase with substrate analogue L,L,D-ACd2Ab (unexposed) | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE | | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2009-07-22 | | Release date: | 2010-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 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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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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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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1QJE
 | | Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex) | | Descriptor: | FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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1QJF
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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1ODN
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | | Descriptor: | 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2003-02-19 | | Release date: | 2003-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
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1ODM
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2003-02-19 | | Release date: | 2003-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
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1QIQ
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX) | | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-15 | | Release date: | 2000-06-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction.
Nature, 401, 1999
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1UZW
 | | ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Grummitt, A.R, Rutledge, P.J, Clifton, I.J, Baldwin, J.E. | | Deposit date: | 2004-03-17 | | Release date: | 2004-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Active Site Mediated Elimination of Hydrogen Fluoride from a Fluorinated Substrate Analogue by Isopenicillin N Synthase
Biochem.J., 382, 2004
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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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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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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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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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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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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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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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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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1OBN
 | | ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ... | | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | | Deposit date: | 2003-01-31 | | Release date: | 2004-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 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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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: | 2024-05-08 | | 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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1HB1
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB4
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB3
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB2
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 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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