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5J4R
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BU of 5j4r by Molmil
WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
分子名称: 2-OXOGLUTARIC ACID, NICKEL (II) ION, WelO5
著者McDonough, M.A, Gallimore, E, Clifton, I.J, Schofield, C.J.
登録日2016-04-01
公開日2017-04-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
To Be Published
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
著者Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
5L9V
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BU of 5l9v by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/P317C) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-1)
分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-11
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
分子名称: CHLORIDE ION, CP2, GLYCEROL, ...
著者King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
2VZK
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BU of 2vzk by Molmil
Structure of the acyl-enzyme complex of an N-terminal nucleophile (Ntn) hydrolase, OAT2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, ...
著者Iqbal, A, Clifton, I.J, Schofield, C.J.
登録日2008-08-01
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献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
分子名称: FE (II) ION, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ...
著者Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2008-10-10
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
5LY2
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JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
分子名称: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
著者Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
2WA4
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BU of 2wa4 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide
分子名称: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ...
著者Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2009-02-02
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2V4I
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Structure of a novel N-acyl-enzyme intermediate of an N-terminal nucleophile (Ntn) hydrolase, OAT2
分子名称: GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN
著者Iqbal, A, Clifton, I.J, Schofield, C.J.
登録日2008-09-22
公開日2008-10-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a Novel N-Acyl-Enzyme Intermediate of an N-Terminal Nucleophile (Ntn) Hydrolase, Oat2
To be Published
2OS2
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BU of 2os2 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys36
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-05
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OT7
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Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-07
公開日2007-03-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OX0
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Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9
分子名称: CHLORIDE ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ...
著者Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-19
公開日2007-03-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2WA3
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BU of 2wa3 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid
分子名称: 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR
著者Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2009-02-02
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2OPW
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BU of 2opw by Molmil
Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
分子名称: PHYHD1 protein
著者Zhang, Z, Butler, D, McDonough, M.A, Kavanagh, K.L, Bray, J.E, Ng, S.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-30
公開日2007-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
To be Published
2OQ6
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BU of 2oq6 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-31
公開日2007-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OQ7
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The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-31
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
6HL6
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BU of 6hl6 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
分子名称: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J.
登録日2018-09-10
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
To Be Published
8A4G
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IPNS H270E variant in complex with Cd and ACV
分子名称: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Rabe, P, Schofield, C.J.
登録日2022-06-11
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献IPNS H270E variant in complex with Cd and ACV
To Be Published
6I30
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BU of 6i30 by Molmil
Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301
著者Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J.
登録日2018-11-02
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.
Biochim Biophys Acta Gen Subj, 1863, 2019
7ZOE
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BU of 7zoe by Molmil
IPNS H270E 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2022-04-25
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献IPNS H270E variant in complex with Fe and ACV under anaerobic conditions
To Be Published
8A1J
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Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 3
分子名称: 1,2-ETHANEDIOL, 1-phenylpyrrolidine-2,5-dione, DIMETHYL SULFOXIDE, ...
著者de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1N
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Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13
分子名称: (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1L
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Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2
分子名称: (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
8A1K
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Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ebsulfur analogue 15
分子名称: 1,2-ETHANEDIOL, 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide, DIMETHYL SULFOXIDE, ...
著者de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
登録日2022-06-01
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023

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