Author results

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
2WWU
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PHD FINGER PROTEIN 8
Descriptor:PHD FINGER PROTEIN 8, SULFATE ION, ACETATE ION, ...
Authors:Yue, W.W., Hozjan, V., Cooper, C., Tumber, A., Krojer, T., Muniz, J., Allerston, C., Salah, E., McDonough, M.A., von Delft, F., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Schofield, C.J., Kavanagh, K.L., Oppermann, U.
Deposit date:2009-10-29
Release date:2009-11-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
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
2XDV
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF FLJ14393
Descriptor:MYC-INDUCED NUCLEAR ANTIGEN, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Krojer, T., Muniz, J.R.C., Ng, S.S., Pilka, E., Guo, K., Pike, A.C.W., Filippakopoulos, P., Knapp, S., Kavanagh, K.L., Gileadi, O., Bunkoczi, G., Yue, W.W., Niesen, F., Sobott, F., Fedorov, O., Savitsky, P., Kochan, G., Daniel, M., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U.
Deposit date:2010-05-07
Release date:2010-05-26
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
2WO7
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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
2XUM
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FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER)
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ASP-SUBSTRATE PEPTIDE 2, ZINC ION, ...
Authors:Chowdhury, R., McDonough, M.A., Schofield, C.J.
Deposit date:2010-10-19
Release date:2010-12-22
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor.
J. Biol. Chem., 286, 2011
2Y0I
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FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, TANKYRASE-2, FE (II) ION, ...
Authors:Chowdhury, R., McDonough, M.A., Schofield, C.J.
Deposit date:2010-12-02
Release date:2011-02-02
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains.
FEBS J., 278, 2011
2Y6F
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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
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:2012-08-15
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
3U4S
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HISTONE LYSINE DEMETHYLASE JMJD2A IN COMPLEX WITH T11C PEPTIDE SUBSTRATE CROSSLINKED TO N-OXALYL-D-CYSTEINE
Descriptor:Lysine-specific demethylase 4A, HISTONE 3 TAIL ANALOG (T11C Peptide), NICKEL (II) ION, ...
Authors:Ma, J., McDonough, M.A., Schofield, C.J.
Deposit date:2011-10-10
Release date:2012-02-08
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
4B7E
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FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-LEU PEPTIDE (20-MER)
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, ZINC ION, ...
Authors:Chowdhury, R., Ge, W., Schofield, C.J.
Deposit date:2012-08-17
Release date:2013-01-23
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
4B7K
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FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER)
Descriptor:HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, CONSENSUS ANKYRIN REPEAT DOMAIN-SER, ZINC ION, ...
Authors:Chowdhury, R., Ge, W., Schofield, C.J.
Deposit date:2012-08-20
Release date:2013-01-23
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
3ZOI
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ISOPENICILLIN N SYNTHASE WITH AC-O-METHYL-D-THREONINE
Descriptor:ISOPENICILLIN N SYNTHASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE, FE (III) ION, ...
Authors:Rutledge, P.J., Clifton, I.J., Ge, W.
Deposit date:2013-02-21
Release date:2013-06-26
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Crystal Structure of an Isopenicillin N Synthase Complex with an Ethereal Substrate Analogue Reveals Water in the Oxygen Binding Site.
FEBS Lett., 587, 2013
4IW3
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CRYSTAL STRUCTURE OF A PSEUDOMONAS PUTIDA PROLYL-4-HYDROXYLASE (P4H) IN COMPLEX WITH ELONGATION FACTOR TU (EF-TU)
Descriptor:Putative uncharacterized protein, Elongation factor Tu-A, MANGANESE (II) ION, ...
Authors:Scotti, J.S., McDonough, M.A., Schofield, C.J.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J0Q
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CRYSTAL STRUCTURE OF PSEUDOMONAS PUTIDA ELONGATION FACTOR TU (EF-TU)
Descriptor:Elongation factor Tu-A, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Scotti, J.S., McDonough, M.A., Schofield, C.J.
Deposit date:2013-01-31
Release date:2014-02-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J25
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CRYSTAL STRUCTURE OF A PSEUDOMONAS PUTIDA PROLYL-4-HYDROXYLASE (P4H)
Descriptor:Putative uncharacterized protein, MANGANESE (II) ION, N-OXALYLGLYCINE
Authors:Scotti, J.S., McDonough, M.A., Schofield, C.J.
Deposit date:2013-02-04
Release date:2014-02-05
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4JAA
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FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-(D)LEU PEPTIDE
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, CONSENSUS ANKYRIN REPEAT DOMAIN-(d)LEU, ZINC ION, ...
Authors:Scotti, J.S., Ge, W., McDonough, M.A., Schofield, C.J.
Deposit date:2013-02-18
Release date:2014-02-19
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of an oxygenase in complex with substrate
To be Published
4CSW
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RHODOTHERMUS MARINUS YCFD-LIKE RIBOSOMAL PROTEIN L16 ARGINYL HYDROXYLASE
Descriptor:CUPIN 4 FAMILY PROTEIN, CITRIC ACID, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:McDonough, M.A., Sekirnik, R., Schofield, C.J.
Deposit date:2014-03-11
Release date:2014-04-09
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.821 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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