Author results

1ODM
  • Download 1odm
  • View 1odm
Molmil generated image of 1odm
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, SULFATE ION, ...
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:2017-07-05
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
1ODN
  • Download 1odn
  • View 1odn
Molmil generated image of 1odn
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, SULFATE ION, ...
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:2017-07-05
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
2IVI
  • Download 2ivi
  • View 2ivi
Molmil generated image of 2ivi
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC- METHYL-CYCLOPROPYLGLYCINE FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHETASE, D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, SULFATE ION, ...
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:2014-02-19
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
2IVJ
  • Download 2ivj
  • View 2ivj
Molmil generated image of 2ivj
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC- CYCLOPROPYLGLYCINE FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHETASE, D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, SULFATE ION, ...
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:2014-02-19
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
2JB4
  • Download 2jb4
  • View 2jb4
Molmil generated image of 2jb4
ISOPENICILLIN N SYNTHASE WITH A 2-THIABICYCLOHEPTAN-6-ONE PRODUCT ANALOGUE
Descriptor:ISOPENICILLIN N SYNTHETASE, (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, ...
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:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Cyclobutanone Analogue Mimics Penicillin in Binding to Isopenicillin N Synthase.
Chembiochem, 8, 2007
1HB1
  • Download 1hb1
  • View 1hb1
Molmil generated image of 1hb1
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, SULFATE ION, ...
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:2018-10-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1HB2
  • Download 1hb2
  • View 1hb2
Molmil generated image of 1hb2
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, SULFATE ION, ...
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:2018-10-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1HB3
  • Download 1hb3
  • View 1hb3
Molmil generated image of 1hb3
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, SULFATE ION, ...
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:2018-10-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1HB4
  • Download 1hb4
  • View 1hb4
Molmil generated image of 1hb4
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, SULFATE ION, ...
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:2018-10-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
1QIQ
  • Download 1qiq
  • View 1qiq
Molmil generated image of 1qiq
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACMC FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, FE (III) ION, ...
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:2018-10-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction.
Nature, 401, 1999
1QJE
  • Download 1qje
  • View 1qje
Molmil generated image of 1qje
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (IP1 - FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, SULFATE ION, ISOPENICILLIN N, ...
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:2019-07-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
1QJF
  • Download 1qjf
  • View 1qjf
Molmil generated image of 1qjf
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MONOCYCLIC SULFOXIDE - FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, SULFATE ION, 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, ...
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:2019-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
2BU9
  • Download 2bu9
  • View 2bu9
Molmil generated image of 2bu9
ISOPENICILLIN N SYNTHASE COMPLEXED WITH L-AMINOADIPOYL-L-CYSTEINYL-L- HEXAFLUOROVALINE
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (III) ION, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE, ...
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:2011-07-13
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
2VAU
  • Download 2vau
  • View 2vau
Molmil generated image of 2vau
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (UNEXPOSED)
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, 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:2011-07-13
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
2VBB
  • Download 2vbb
  • View 2vbb
Molmil generated image of 2vbb
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ACOMP (35MINUTES OXYGEN EXPOSURE)
Descriptor:ISOPENICILLIN N SYNTHETASE, N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine, FE (II) ION, ...
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:2011-07-13
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
2VBD
  • Download 2vbd
  • View 2vbd
Molmil generated image of 2vbd
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE L,L,L-ACOMP (UNEXPOSED)
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, 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:2013-01-30
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
2VBP
  • Download 2vbp
  • View 2vbp
Molmil generated image of 2vbp
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE L,L,L-ACAB (UNEXPOSED)
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, 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:2011-07-13
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
2VCM
  • Download 2vcm
  • View 2vcm
Molmil generated image of 2vcm
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ASMCOV
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, 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:2011-07-13
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
2VE1
  • Download 2ve1
  • View 2ve1
Molmil generated image of 2ve1
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE ASMCOV (OXYGEN EXPOSED 1MIN 20BAR)
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, 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: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:2017-06-14
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
2WO7
  • Download 2wo7
  • View 2wo7
Molmil generated image of 2wo7
ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE L,L,D-ACD2AB (UNEXPOSED)
Descriptor:ISOPENICILLIN N SYNTHASE, FE (II) ION, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE
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:2011-07-13
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
1W3V
  • Download 1w3v
  • View 1w3v
Molmil generated image of 1w3v
ISOPENICILLIN N SYNTHASE D-(L-A-AMINOADIPOYL)-(3R)-METHYL-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER COMPLEX (ANAEROBIC)
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
Authors:Daruzzaman, A., Clifton, I.J., Rutledge, P.J.
Deposit date:2004-07-20
Release date:2005-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase.
Chembiochem, 7, 2006
1W3X
  • Download 1w3x
  • View 1w3x
Molmil generated image of 1w3x
ISOPENICILLIN N SYNTHASE D-(L-A-AMINOADIPOYL)-(3R)-METHYL-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER COMPLEX (OXYGEN EXPOSED 5 MINUTES 20 BAR)
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, 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:2011-07-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Unexpected Oxidation of a Depsipeptide Substrate Analogue in Crystalline Isopenicillin N Synthase.
Chembiochem, 7, 2006
2BJS
  • Download 2bjs
  • View 2bjs
Molmil generated image of 2bjs
ISOPENICILLIN N SYNTHASE C-TERMINAL TRUNCATION MUTANT
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (III) ION, 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:2018-02-21
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
2Y60
  • Download 2y60
  • View 2y60
Molmil generated image of 2y60
ISOPENICILLIN N SYNTHASE WITH AC-D-METHIONINE
Descriptor:ISOPENICILLIN N SYNTHASE, N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine, FE (III) ION, ...
Authors:Rutledge, P.J., Clifton, I.J., Ge, W.
Deposit date:2011-01-19
Release date:2012-02-08
Last modified:2019-07-17
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
2Y6F
  • Download 2y6f
  • View 2y6f
Molmil generated image of 2y6f
ISOPENICILLIN N SYNTHASE WITH AC-D-S-METHYL-3R-METHYLCYSTEINE
Descriptor:ISOPENICILLIN N SYNTHASE, (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, ...
Authors:Rutledge, P.J., Clifton, I.J., Ge, W.
Deposit date:2011-01-21
Release date:2011-08-31
Last modified:2017-07-05
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
<12>