3HQU
 
 | | PHD2:Fe:UN9:partial HIF1-alpha substrate complex | | Descriptor: | Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
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3HQR
 | | PHD2:Mn:NOG:HIF1-alpha substrate complex | | Descriptor: | Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
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8CKF
 | | Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand | | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J. | | Deposit date: | 2023-02-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.
Acs Chem.Biol., 18, 2023
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7E8Z
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81 | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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3K2O
 | | Structure of an oxygenase | | Descriptor: | ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ... | | Authors: | 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) | | Deposit date: | 2009-09-30 | | Release date: | 2009-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
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7NRO
 | | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2021-03-04 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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7NRP
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG | | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | | Authors: | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | Deposit date: | 2021-03-04 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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4AI8
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE | | Descriptor: | DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | Authors: | King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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7WKV
 | | Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA | | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2022-01-11 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7V4G
 | | Crystal structure of human ALKBH5 in complex with m6A-containing ssRNA | | Descriptor: | GLYCEROL, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2021-08-13 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7WL0
 | | Crystal structure of human ALKBH5 in complex with N-oxalylglycine (NOG) and m6A-containing ssRNA | | Descriptor: | FORMIC ACID, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2022-01-12 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7OOO
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification | | Descriptor: | DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | | Authors: | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | Deposit date: | 2021-05-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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7OOS
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG | | Descriptor: | DNA (5'-D(*CP*TP*(05K)P*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'), STRONTIUM ION | | Authors: | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | Deposit date: | 2021-05-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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7OZZ
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG with LNA-amide modification | | Descriptor: | DNA (5'-D(*CP*TP*(05H)P*TP*CP*TP*TP*TP*G)-3'), POTASSIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | | Authors: | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | Deposit date: | 2021-06-29 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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7Q5X
 | | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | | Deposit date: | 2021-11-04 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
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7Q5V
 | | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542) | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | | Authors: | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | | Deposit date: | 2021-11-04 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
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2YBK
 | | 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
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5FQ9
 | | Crystal structure of the OXA10 with 1C | | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | | Authors: | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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2YBP
 | | 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
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5FQA
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II | | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ... | | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
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5FQC
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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5FQB
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... | | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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2A7K
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | | Descriptor: | CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-05 | | Release date: | 2005-08-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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2A81
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | | Descriptor: | ACETYL COENZYME *A, BICINE, CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-07 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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