Author results

1QNJ
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THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A)
Descriptor:ELASTASE, SODIUM ION, SULFATE ION
Authors:Wurtele, M., Hahn, M., Hilpert, K., Hohne, W.
Deposit date:1999-10-15
Release date:2000-03-31
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic Resolution Structure of Native Porcine Pancreatic Elastase at 1.1 A
Acta Crystallogr.,Sect.D, 56, 2000
1ODM
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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
5NAI
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MONO-ZINC VIM-5 METALLO-BETA-LACTAMASE IN COMPLEX WITH (1-CHLORO-4-HYDROXYISOQUINOLINE-3-CARBONYL)-D-TRYPTOPHAN (COMPOUND 1)
Descriptor:Class B metallo-beta-lactamase, ZINC ION, (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, ...
Authors:Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Deposit date:2017-02-28
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
5N4T
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VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ((S)-3-MERCAPTO-2-METHYLPROPANOYL)-L-TRYPTOPHAN (COMPOUND 4)
Descriptor:Beta-lactamase VIM-2, ZINC ION, (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, ...
Authors:Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Deposit date:2017-02-11
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
5N4S
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VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ((S)-3-MERCAPTO-2-METHYLPROPANOYL)-D-TRYPTOPHAN (COMPOUND 3)
Descriptor:Beta-lactamase VIM-2, ZINC ION, (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, ...
Authors:Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Deposit date:2017-02-11
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
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
1BK0
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, SULFATE ION, FE (III) ION, ...
Authors:Roach, P.L., Clifton, I.J., Hensgens, C.M.H., Shibata, N., Schofield, C.J., Hajdu, J., Baldwin, J.E.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
1HB2
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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
1OBN
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ISOPENICILLIN N SYNTHASE AMINOADIPOYL-CYSTEINYL-AMINOBUTYRATE-FE-NO COMPLEX
Descriptor:ISOPENICILLIN N SYNTHETASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ...
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:2018-10-24
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
1UZW
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ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE
Descriptor:ISOPENICILLIN N SYNTHETASE, FE (II) ION, D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, ...
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:2011-07-13
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
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
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
2IVI
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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
2JB4
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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
5TRQ
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WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE
Descriptor:WelO5, NICKEL (II) ION, SUCCINIC ACID, ...
Authors:McDonough, M.A., Gallimore, E., Clifton, I.J.
Deposit date:2016-10-27
Release date:2017-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE
To be published
5MOZ
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OXA-10 AVIBACTAM COMPLEX WITH BOUND IODIDE
Descriptor:Beta-lactamase OXA-10, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, GLYCEROL, ...
Authors:Brem, J.
Deposit date:2016-12-15
Release date:2017-07-12
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
1QJE
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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:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
1HAZ
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SNAPSHOTS OF SERINE PROTEASE CATALYSIS: (C) ACYL-ENZYME INTERMEDIATE BETWEEN PORCINE PANCREATIC ELASTASE AND HUMAN BETA-CASOMORPHIN-7 JUMPED TO PH 9 FOR 1 MINUTE
Descriptor:BETA-CASOMORPHIN-7, ELASTASE 1, CALCIUM ION, ...
Authors:Wilmouth, R.C., Edman, K., Neutze, R., Wright, P.A., Clifton, I.J., Schneider, T.R., Schofield, C.J., Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HB3
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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
1QJF
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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:2019-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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
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
2Y60
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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
3ZKU
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ISOPENICILLIN N SYNTHASE WITH SUBSTRATE ANALOGUE AHCV
Descriptor:ISOPENICILLIN N SYNTHASE, FE (III) ION, 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:2017-07-05
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
4BB3
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ISOPENICILLIN N SYNTHASE WITH THE DIPEPTIDE SUBSTRATE ANALOGUE AHC
Descriptor:ISOPENICILLIN N SYNTHASE, FE (III) ION, (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid, ...
Authors:Daruzzaman, A., Clifton, I.J., Rutledge, P.J.
Deposit date:2012-09-19
Release date:2013-04-17
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Crystal Structure of Isopenicillin N Synthase with a Dipeptide Substrate Analogue.
Arch.Biochem.Biophys., 530, 2013