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6YVT
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BU of 6yvt by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253
Descriptor: 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Demetriades, M, Schofield, C.J.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
4PVT
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BU of 4pvt by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
Authors:Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
2YBK
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BU of 2ybk by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE
Descriptor: (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2011-03-08
Release date:2011-04-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
2Y0I
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BU of 2y0i by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-12-02
Release date:2011-02-02
Last modified:2023-12-20
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
2XUM
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BU of 2xum by Molmil
FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER)
Descriptor: ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-10-19
Release date:2010-12-22
Last modified:2023-12-20
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
2YDE
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BU of 2yde by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH S-2-HYDROXYGLUTARATE
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Chowdhury, R, Clifton, I.J, Schofield, C.J.
Deposit date:2011-03-18
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
2YBP
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BU of 2ybp by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)
Descriptor: (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2011-03-09
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
2YC0
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BU of 2yc0 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH R-2-HYDROXYGLUTARATE
Descriptor: (2R)-2-hydroxypentanedioic acid, FE (II) ION, GLYCEROL, ...
Authors:Chowdhury, R, Clifton, I.J, Schofield, C.J.
Deposit date:2011-03-10
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
2YBS
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BU of 2ybs by Molmil
JMJD2A COMPLEXED WITH S-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, GLYCEROL, HISTONE H3.1T, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2011-03-10
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
4KQO
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BU of 4kqo by Molmil
Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4KQR
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BU of 4kqr by Molmil
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
Descriptor: (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4KQQ
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BU of 4kqq by Molmil
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
Descriptor: (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4B7E
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BU of 4b7e by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-LEU PEPTIDE (20-MER)
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:Chowdhury, R, Ge, W, Schofield, C.J.
Deposit date:2012-08-17
Release date:2013-01-23
Last modified:2023-12-20
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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BU of 4b7k by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER)
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-SER, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, Ge, W, Schofield, C.J.
Deposit date:2012-08-20
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
4BP0
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BU of 4bp0 by Molmil
Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1
Descriptor: CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ...
Authors:McDonough, M.A, Brem, J, Schofield, C.J.
Deposit date:2013-05-22
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
4CWD
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BU of 4cwd by Molmil
CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE
Descriptor: 4-carboxy-1,1-dimethylpiperidin-1-ium, DI(HYDROXYETHYL)ETHER, GAMMA-BUTYROBETAINE DIOXYGENASE, ...
Authors:McDonough, M.A, Kochan, G, Rydzik, A, Schofield, C.J.
Deposit date:2014-04-02
Release date:2014-09-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids.
Angew. Chem. Int. Ed. Engl., 53, 2014
6YW1
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BU of 6yw1 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW2
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BU of 6yw2 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic FG2216 and RaPID-derived cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW3
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BU of 6yw3 by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) in complex with N-Oxalyl Glycine (NOG), HIF-1ALPHA CODD (556-574) and a RaPID-derived cyclic peptide 3C (14-mer)
Descriptor: Egl nine homolog 1, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2020-04-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6I7R
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BU of 6i7r by Molmil
Structure of pVHL-elongin B-elongin C (VCB) in complex with hydroxylated-HIF-2alpha (523-542) in the P43212 form
Descriptor: Elongin-B, Elongin-C, Endothelial PAS domain-containing protein 1, ...
Authors:Chowdhury, R, Aguilera, L.S, Schofield, C.J.
Deposit date:2018-11-17
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:HIF-2alpha-pVHL-elongin B-elongin C complex
To Be Published
6I7Q
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BU of 6i7q by Molmil
Structure of pVHL-elongin B-elongin C (VCB) in complex with hydroxylated-HIF-2alpha (523-542) in the C2221 form
Descriptor: Elongin-B, Elongin-C, Endothelial PAS domain-containing protein 1, ...
Authors:Chowdhury, R, Aguilera, L.S, Schofield, C.J.
Deposit date:2018-11-17
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:HIF-2alpha-pVHL-elongin B-elongin C complex
To Be Published
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)
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-11
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LAS
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BU of 5las by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/P317C/R396T) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-3)
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-14
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016

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