Author results

1QIX
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH HUMAN BETA-CASOMORPHIN-7
Descriptor:BETA-CASOMORPHIN-7, ELASTASE, CALCIUM ION, ...
Authors:Wilmouth, R.C., Clifton, I.J., Hajdu, J., Schofield, C.J.
Deposit date:1999-06-18
Release date:1999-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase
Nat.Struct.Biol., 4, 1997
1W03
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ISOPENICILLIN N SYNTHASE AMINOADIPOYL-CYSTEINYL-GLYCINE-FE COMPLEX
Descriptor:ISOPENICILLIN N SYNTHETASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, ...
Authors:Long, A.J., Clifton, I.J., Rutledge, P.J.
Deposit date:2004-06-01
Release date:2005-05-04
Last modified:2011-07-13
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
1W04
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ISOPENICILLIN N SYNTHASE AMINOADIPOYL-CYSTEINYL-GLYCINE-FE-NO COMPLEX
Descriptor:ISOPENICILLIN N SYNTHETASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, ...
Authors:Long, A.J., Clifton, I.J., Rutledge, P.J.
Deposit date:2004-06-01
Release date:2005-05-04
Last modified:2011-07-13
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
1W05
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ISOPENICILLIN N SYNTHASE AMINOADIPOYL-CYSTEINYL-ALANINE-FE COMPLEX
Descriptor:ISOPENICILLIN N SYNTHETASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, ...
Authors:Long, A.J., Clifton, I.J., Rutledge, P.J.
Deposit date:2004-06-01
Release date:2005-05-04
Last modified:2011-07-13
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
1W06
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ISOPENICILLIN N SYNTHASE AMINOADIPOYL-CYSTEINYL-ALANINE-FE NO COMPLEX
Descriptor:ISOPENICILLIN N SYNTHETASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, ...
Authors:Long, A.J., Clifton, I.J., Rutledge, P.J.
Deposit date:2004-06-01
Release date:2005-05-04
Last modified:2011-07-13
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
1W3V
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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
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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
1W9Y
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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
1WA6
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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:2011-07-13
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
2BJS
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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
2BRT
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ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED WITH NARINGENIN
Descriptor:LEUCOANTHOCYANIDIN DIOXYGENASE, FE (II) ION, 2-OXOGLUTARIC ACID, ...
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:2011-07-13
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
2BU9
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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
2CGN
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FACTOR INHIBITING HIF-1 ALPHA WITH SUCCINATE
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, FE (III) ION, SUCCINIC ACID, ...
Authors:McDonough, M.A., Clifton, I.J., Schofield, C.J.
Deposit date:2006-03-09
Release date:2006-12-13
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
2CGO
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FACTOR INHIBITING HIF-1 ALPHA WITH FUMARATE
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, FE (III) ION, FUMARIC ACID, ...
Authors:McDonough, M.A., Clifton, I.J., Schofield, C.J.
Deposit date:2006-03-09
Release date:2006-12-13
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
2V4I
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STRUCTURE OF A NOVEL N-ACYL-ENZYME INTERMEDIATE OF AN N-TERMINAL NUCLEOPHILE (NTN) HYDROLASE, OAT2
Descriptor:GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN
Authors:Iqbal, A., Clifton, I.J., Schofield, C.J.
Deposit date:2008-09-22
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Novel N-Acyl-Enzyme Intermediate of an N-Terminal Nucleophile (Ntn) Hydrolase, Oat2
To be Published
2VAU
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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
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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
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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
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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
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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
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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
2VZK
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STRUCTURE OF THE ACYL-ENZYME COMPLEX OF AN N-TERMINAL NUCLEOPHILE (NTN) HYDROLASE, OAT2
Descriptor:GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Iqbal, A., Clifton, I.J., Schofield, C.J.
Deposit date:2008-08-01
Release date:2008-09-16
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Anatomy of a Simple Acyl Intermediate in Enzyme Catalysis: Combined Biophysical and Modeling Studies on Ornithine Acetyl Transferase.
J.Am.Chem.Soc., 131, 2009
2W0X
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FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, FE (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Conejo-Garcia, A., Lienard, B.M.R., Clifton, I.J., McDonough, M.A., Schofield, C.J.
Deposit date:2008-10-10
Release date:2009-11-24
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2WA3
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FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-HYDROXYPHENYL)-2-OXOACETIC ACID
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, FE (II) ION, 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID
Authors:Conejo-Garcia, A., Lienard, B.M.R., Clifton, I.J., McDonough, M.A., Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2WA4
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FACTOR INHIBITING HIF-1 ALPHA WITH N,3-DIHYDROXYBENZAMIDE
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, FE (II) ION, N,3-DIHYDROXYBENZAMIDE, ...
Authors:Conejo-Garcia, A., Lienard, B.M.R., Clifton, I.J., McDonough, M.A., Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010