Author results

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
1BLZ
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO COMPLEX)
Descriptor:ISOPENICILLIN N SYNTHASE, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Roach, P.L., Clifton, I.J., Hensgens, C.M.H., Shibata, N., Schofield, C.J., Hajdu, J., Baldwin, J.E.
Deposit date:1998-07-22
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
1IPS
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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:2011-07-13
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
5LL0
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STRUCTURE OF POLYPHOSPHATE KINASE 2 FROM FRANCISELLA TULARENSIS SCHU S4 WITH POLYPHOSPHATE
Descriptor:Polyphosphate kinase 2, bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
Authors:Roach, P.L., Parnell, A.E.
Deposit date:2016-07-25
Release date:2017-10-11
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LLB
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STRUCTURE OF POLYPHOSPHATE KINASE 2 FROM FRANCISELLA TULARENSIS WITH AMPPCH2PPP AND POLYPHOSPHATE
Descriptor:Polyphosphate kinase 2, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Roach, P.L., Parnell, A.E.
Deposit date:2016-07-27
Release date:2017-10-11
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LLF
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STRUCTURE OF POLYPHOSPHATE KINASE 2 MUTANT D117N FROM FRANCISELLA TULARENSIS WITH POLYPHOSPHATE
Descriptor:Polyphosphate kinase 2, PHOSPHATE ION, [oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate, ...
Authors:Roach, P.L., Parnell, A.E.
Deposit date:2016-07-27
Release date:2017-10-11
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1HB1
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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
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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
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
1HB4
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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 (1.5 Å)
Cite:Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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
1ODN
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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
1QIQ
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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
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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
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
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
2IVJ
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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
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
1OC1
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ISOPENICILLIN N SYNTHASE AMINOADIPOYL-CYSTEINYL-AMINOBUTYRATE-FE 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:2003-02-03
Release date:2004-02-02
Last modified:2018-10-24
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
1GQW
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TAURINE/ALPHA-KETOGLUTARATE DIOXYGENASE FROM ESCHERICHIA COLI
Descriptor:ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, FE (II) ION, 2-AMINOETHANESULFONIC ACID, ...
Authors:Elkins, J.M., Ryle, M.J., Clifton, I.J., Dunning-Hotopp, J.C., Lloyd, J.S., Burzlaff, N.I., Baldwin, J.E., Hausinger, R.P., Roach, P.L.
Deposit date:2001-12-05
Release date:2002-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates
Biochemistry, 41, 2002
1GY9
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TAURINE/ALPHA-KETOGLUTARATE DIOXYGENASE FROM ESCHERICHIA COLI
Descriptor:ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, FE (III) ION, 2-AMINOETHANESULFONIC ACID, ...
Authors:Elkins, J.M., Burzlaff, N.I., Ryle, M.J., Lloyd, J.S., Clifton, I.J., Baldwin, J.E., Hausinger, R.P., Roach, P.L.
Deposit date:2002-04-22
Release date:2002-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates.
Biochemistry, 41, 2002
4GBE
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CRYSTAL STRUCTURE OF E. COLI DNA ADENINE METHYLTRANSFERASE IN COMPLEX WITH SAH
Descriptor:DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Harmer, J.E., Roach, P.L.
Deposit date:2012-07-27
Release date:2014-02-26
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimics
To be Published
4GOL
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CRYSTAL STRUCTURE OF E. COLI DNA ADENINE METHYLTRANSFERASE IN COMPLEX WITH METHYLATED AZA-SAM
Descriptor:DNA adenine methylase, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
Authors:Harmer, J.E., Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be Published
4GOM
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CRYSTAL STRUCTURE OF E. COLI DNA ADENINE METHYLTRANSFERASE IN COMPLEX WITH AZA-SAM
Descriptor:DNA adenine methylase, 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine
Authors:Harmer, J.E., Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
4GON
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CRYSTAL STRUCTURE OF E. COLI DNA ADENINE METHYLTRANSFERASE IN COMPLEX WITH INDOLE AZA-SAM
Descriptor:DNA adenine methylase, 5'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine
Authors:Harmer, J.E., Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
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