4V2V
 
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA | | Descriptor: | CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, Madden, S.K, Schofield, C.J. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
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1H2M
 | | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | | Descriptor: | FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ... | | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | | Deposit date: | 2002-08-12 | | Release date: | 2002-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
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4V2W
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35) | | Descriptor: | CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ... | | Authors: | Chowdhury, R, Zafred, D, Schofield, C.J. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | Descriptor: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | Deposit date: | 2019-01-13 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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7PJN
 | | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | | Descriptor: | (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, ... | | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
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7PSW
 | | Spin labeled IPNS S55C variant in complex with Fe and ACV under anaerobic conditions | | Descriptor: | FE (III) ION, GLYCEROL, Isopenicillin N synthase, ... | | Authors: | Rabe, P, Clifton, I, Walla, C, Schofield, C.J. | | Deposit date: | 2021-09-24 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase.
J.Biol.Chem., 298, 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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5A87
 | | 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
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9FZO
 | | Pseudomonas aeruginosa penicillin binding protein 3 in complex with ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Peptidoglycan D,D-transpeptidase FtsI, SULFATE ION | | Authors: | Smith, H.G, Allen, M.D, Basak, S, Aniebok, V, Beech, M.J, Alshref, F.M, Farley, A.J.M, Schofield, C.J. | | Deposit date: | 2024-07-05 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol.
Chem Sci, 2024
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9FZ7
 | | Pseudomonas aeruginosa penicillin binding protein 3 in complex with cefiderocol | | Descriptor: | ACYLATED CEFTAZIDIME, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Smith, H.G, Allen, M.D, Basak, S, Aniebok, V, Beech, M.J, Alshref, F.M, Farley, A.J.M, Schofield, C.J. | | Deposit date: | 2024-07-04 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol.
Chem Sci, 2024
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9FZE
 | | Pseudomonas aeruginosa penicillin binding protein 3 in complex with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Smith, H.G, Allen, M.D, Basak, S, Aniebok, V, Beech, M.J, Alshref, F.M, Farley, A.J.M, Schofield, C.J. | | Deposit date: | 2024-07-05 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol.
Chem Sci, 2024
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9FZP
 | | Pseudomonas aeruginosa penicillin binding protein 3 in complex with cefepime | | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | | Authors: | Smith, H.G, Allen, M.D, Basak, S, Aniebok, V, Beech, M.J, Alshref, F.M, Farley, A.J.M, Schofield, C.J. | | Deposit date: | 2024-07-05 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol.
Chem Sci, 2024
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9FZ8
 | | Pseudomonas aeruginosa penicillin binding protein 3 | | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Smith, H.G, Allen, M.D, Basak, S, Aniebok, V, Beech, M.J, Alshref, F.M, Farley, A.J.M, Schofield, C.J. | | Deposit date: | 2024-07-04 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol.
Chem Sci, 2024
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5T66
 | | Crystal Structure of CTX-M-15 with 1C | | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-09-01 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Cyclic Boronates Inhibit All Classes of beta-Lactamases.
Antimicrob. Agents Chemother., 61, 2017
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6I7R
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6I9M
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and R-2-hydroxyglutarate | | Descriptor: | (2R)-2-hydroxypentanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-23 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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6I9L
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-23 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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6H8P
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | | Descriptor: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2018-08-03 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
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6I9N
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and L-2-hydroxyglutarate | | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-24 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.361 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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6I7Q
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1LQB
 | | Crystal structure of a hydroxylated HIF-1 alpha peptide bound to the pVHL/elongin-C/elongin-B complex | | Descriptor: | Elongin B, Elongin C, Hypoxia-inducible factor 1 ALPHA, ... | | Authors: | Hon, W.C, Wilson, M.I, Harlos, K, Claridge, T.D, Schofield, C.J, Pugh, C.W, Maxwell, P.H, Ratcliffe, P.J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 2002-05-09 | | Release date: | 2002-07-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the recognition of hydroxyproline in HIF-1 alpha by pVHL.
Nature, 417, 2002
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5LAS
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5LB6
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5LBE
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