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PDB: 193 results

6RZ0
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Crystal structure of Escherichia coli Glyoxalase II
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Skorupskaite, A, McDonough, M.A, Schofield, C.J.
Deposit date:2019-06-12
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of Escherichia coli Glyoxalase II
To Be Published
6RPN
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Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.
Descriptor: (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ...
Authors:Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J.
Deposit date:2019-05-14
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.409 Å)
Cite:Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate.
Acs Infect Dis., 6, 2020
6S0P
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Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana
Descriptor: FE (III) ION, Plant cysteine oxidase 4
Authors:White, M.D, Flashman, E, McDonough, M.A.
Deposit date:2019-06-17
Release date:2020-07-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RUJ
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Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Nakashima, Y, McDonough, M.A, Schofield, C.J.
Deposit date:2019-05-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:A human protein hydroxylase that accepts D-residues
Commun Chem, 2020
6SBP
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Plant Cysteine Oxidase PCO5 from Arabidopsis thaliana
Descriptor: GLYCEROL, NICKEL (II) ION, Plant cysteine oxidase 5
Authors:White, M.D, Flashman, E, McDonough, M.A.
Deposit date:2019-07-22
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
5APA
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BU of 5apa by Molmil
Crystal structure of human aspartate beta-hydroxylase isoform a
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ...
Authors:Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2015-09-15
Release date:2015-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
2WA3
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BU of 2wa3 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid
Descriptor: 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR
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:2023-12-13
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: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, 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:2023-12-13
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
2VD7
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BU of 2vd7 by Molmil
Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid
Descriptor: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U.
Deposit date:2007-10-01
Release date:2007-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
6S7E
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BU of 6s7e by Molmil
Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants)
Descriptor: FE (III) ION, Plant cysteine oxidase 4
Authors:White, M.D, Levy, C.W, Flashman, E, McDonough, M.A.
Deposit date:2019-07-04
Release date:2020-07-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
6S0I
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BU of 6s0i by Molmil
Crystal structure of Escherichia coli Glyoxalase II with L-Tartrate in the active site
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hydroxyacylglutathione hydrolase GloB, L(+)-TARTARIC ACID, ...
Authors:Skorupskaite, A, McDonough, M.A, Schofield, C.J.
Deposit date:2019-06-14
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Crystal structure of Escherichia coli Glyoxalase II
To Be Published
2W0X
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BU of 2w0x by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID
Descriptor: FE (II) ION, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ...
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:2023-12-13
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
6T8M
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BU of 6t8m by Molmil
Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum
Descriptor: CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J.
Deposit date:2019-10-24
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii .
J.Biol.Chem., 295, 2020
2OS2
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BU of 2os2 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys36
Descriptor: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors: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)
Deposit date:2007-02-05
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OT7
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BU of 2ot7 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9
Descriptor: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors: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)
Deposit date:2007-02-07
Release date:2007-03-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.135 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2WWU
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BU of 2wwu by Molmil
Crystal structure of the catalytic domain of PHD finger protein 8
Descriptor: ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ...
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:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
5A87
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BU of 5a87 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-5
Descriptor: GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION
Authors:Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J.
Deposit date:2015-07-13
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of Verona Integron-Borne Metallo-beta-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles.
Antimicrob. Agents Chemother., 60, 2015
2OPW
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BU of 2opw by Molmil
Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
Descriptor: PHYHD1 protein
Authors: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)
Deposit date:2007-01-30
Release date:2007-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors: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)
Deposit date:2007-01-31
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2WPW
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BU of 2wpw by Molmil
Tandem GNAT protein from the clavulanic acid biosynthesis pathway (without AcCoA)
Descriptor: ACETYL COENZYME *A, ORF14
Authors:Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J.
Deposit date:2009-08-11
Release date:2009-12-29
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway.
Proteins, 78, 2010
2OQ7
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BU of 2oq7 by Molmil
The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine
Descriptor: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors: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)
Deposit date:2007-01-31
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OX0
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BU of 2ox0 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9
Descriptor: CHLORIDE ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ...
Authors: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)
Deposit date:2007-02-19
Release date:2007-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
5N4T
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BU of 5n4t by Molmil
VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)
Descriptor: (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-11
Release date:2017-05-17
Last modified:2024-01-17
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
5NAI
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BU of 5nai by Molmil
mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)
Descriptor: (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, FLUORIDE ION, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-28
Release date:2017-05-17
Last modified:2024-10-16
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
5N55
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BU of 5n55 by Molmil
mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan (Compound 2)
Descriptor: (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan, Class B metallo-beta-lactamase, ZINC ION
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-13
Release date:2017-05-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017

226707

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