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1YCI
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BU of 1yci by Molmil
Factor inhibiting HIF-1 alpha in complex with N-(carboxycarbonyl)-D-phenylalanine
Descriptor: FE (II) ION, Hypoxia-inducible factor 1 alpha inhibitor, N-(CARBOXYCARBONYL)-D-PHENYLALANINE, ...
Authors:McDonough, M.A, Schofield, C.J.
Deposit date:2004-12-22
Release date:2005-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Selective inhibition of factor inhibiting hypoxia-inducible factor
J.Am.Chem.Soc., 127, 2005
7YXK
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BU of 7yxk by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-alanine (NODA)
Descriptor: (2~{R})-2-(carboxycarbonylamino)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXH
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Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and succinate
Descriptor: 1,2-ETHANEDIOL, GH14974p, MAGNESIUM ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXG
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BU of 7yxg by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2OG
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXI
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BU of 7yxi by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalylglycine (NOG)
Descriptor: 1,2-ETHANEDIOL, GH14974p, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXL
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BU of 7yxl by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-phenylalanine (NOFD)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXJ
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BU of 7yxj by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7V4G
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BU of 7v4g by Molmil
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
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
7WKV
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BU of 7wkv by Molmil
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
7WL0
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BU of 7wl0 by Molmil
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
7YBA
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BU of 7yba by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate
To Be Published
7YB9
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BU of 7yb9 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBC
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BU of 7ybc by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YBB
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BU of 7ybb by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-4-hydroxy-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
7YB8
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BU of 7yb8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Descriptor: (2R)-2-hydroxypentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with D-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
To Be Published
2V4I
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BU of 2v4i by Molmil
Structure of a novel N-acyl-enzyme intermediate of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Descriptor: GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN
Authors:Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2008-09-22
Release date:2008-10-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Novel N-Acyl-Enzyme Intermediate of an N-Terminal Nucleophile (Ntn) Hydrolase, Oat2
To be Published
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
2VZK
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BU of 2vzk by Molmil
Structure of the acyl-enzyme complex of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, ...
Authors:Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2008-08-01
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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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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
2WA4
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BU of 2wa4 by Molmil
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
5E9V
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BU of 5e9v by Molmil
Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
Descriptor: 1,2-ETHANEDIOL, 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone, Bromodomain-containing protein 9
Authors:Tallant, C, Hay, D.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Schofield, C.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
Deposit date:2015-10-15
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
To Be Published
1E5I
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BU of 1e5i by Molmil
DELTA-R306 DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH IRON AND 2-OXOGLUTARATE.
Descriptor: 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION
Authors:Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J.
Deposit date:2000-07-26
Release date:2001-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
1E5H
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BU of 1e5h by Molmil
DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE
Descriptor: CARBON DIOXIDE, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, ...
Authors:Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J.
Deposit date:2000-07-26
Release date:2001-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
1GVG
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BU of 1gvg by Molmil
Crystal Structure of Clavaminate Synthase with Nitric Oxide
Descriptor: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, DEOXYGUANIDINOPROCLAVAMINIC ACID, ...
Authors:Zhang, Z.H, Ren, J, McKinnon, C.H, Clifton, I.J, Harlos, K, Schofield, C.J.
Deposit date:2002-02-12
Release date:2003-02-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structure of a Clavaminate Synthase-Fe(II) -2-Oxoglutarate-Substrate-No Complex: Evidence for Metal Centered Rearrangements
FEBS Lett., 517, 2002

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