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7YXH
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Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and succinate
分子名称: 1,2-ETHANEDIOL, GH14974p, MAGNESIUM ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXG
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Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2OG
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXI
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BU of 7yxi by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, GH14974p, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXJ
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BU of 7yxj by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
3HQU
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BU of 3hqu by Molmil
PHD2:Fe:UN9:partial HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
3HQR
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BU of 3hqr by Molmil
PHD2:Mn:NOG:HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
8BBA
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BU of 8bba by Molmil
IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-10-12
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献IPNS H270N variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BBD
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IPNS H270Q variant in complex with ACV after O2 exposure
分子名称: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION
著者Rabe, P, Schofield, C.J.
登録日2022-10-12
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献IPNS H270Q variant in complex ACV after O2 exposure
To Be Published
8BBB
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IPNS H270A variant in complex with ACV exposed to O2
分子名称: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION
著者Rabe, P, Schofield, C.J.
登録日2022-10-12
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献IPNS H270A variant in complex with ACV exposed to O2
To Be Published
8BB9
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IPNS H270N variant in complex with Fe and ACV after O2 exposure
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-10-12
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献IPNS H270N variant in complex with Fe and ACV after O2 exposure
To Be Published
8BBC
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BU of 8bbc by Molmil
IPNS H270A variant in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-10-12
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献IPNS H270A variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BK3
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BU of 8bk3 by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1
分子名称: 1,2-ETHANEDIOL, 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone, DIMETHYL SULFOXIDE, ...
著者de Munnik, M, Schofield, C.J.
登録日2022-11-08
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献alpha beta , alpha ' beta '-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.
Chem.Commun.(Camb.), 59, 2023
8BSW
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BU of 8bsw by Molmil
IPNS H270Q variant in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-11-29
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献IPNS H270Q variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8BSY
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BU of 8bsy by Molmil
IPNS H270D variant in complex with Fe and ACV after 30s O2 exposure
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-11-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献IPNS H270D variant in complex with Fe and ACV after 30s O2 exposure
To Be Published
8BSX
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BU of 8bsx by Molmil
IPNS H270D variant in complex with Fe and ACV after 10 min O2 exposure
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-11-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献IPNS H270D variant in complex with Fe and ACV after 10 min O2 exposure
To Be Published
8BSV
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BU of 8bsv by Molmil
IPNS H270D variant in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-11-29
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献IPNS H270D variant in complex with Fe and ACV under anaerobic conditions
To Be Published
1HJG
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BU of 1hjg by Molmil
Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258
分子名称: 3-METHYL-2-OXOBUTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION
著者Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J.
登録日2001-01-15
公開日2001-06-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
1HJF
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BU of 1hjf by Molmil
Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258
分子名称: 2-OXO-4-METHYLPENTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION
著者Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J.
登録日2001-01-15
公開日2001-06-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
1IPS
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BU of 1ips by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)
分子名称: ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION
著者Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E.
登録日1997-03-21
公開日1998-03-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Nature, 375, 1995
5A3U
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BU of 5a3u by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
分子名称: 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
著者Chowdhury, R, Gomez-Perez, V, Schofield, C.J.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
3K2O
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BU of 3k2o by Molmil
Structure of an oxygenase
分子名称: ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ...
著者Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-09-30
公開日2009-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
7PJN
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BU of 7pjn by Molmil
Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B
分子名称: (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ...
著者Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J.
登録日2021-08-24
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
7Q5X
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HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542)
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J.
登録日2021-11-04
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
7Q5V
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HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ...
著者Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J.
登録日2021-11-04
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
8IHZ
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FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
分子名称: 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
登録日2023-02-24
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A small-molecule FIH inhibitor binding to a tyrosine-flip pocket ameliorates obesity and MAFLD
To Be Published

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件を2024-06-12に公開中

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