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5LBE
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BU of 5lbe by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LBC
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BU of 5lbc by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, CHLORIDE ION, Egl nine homolog 1, ...
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 (1.816 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LBB
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BU of 5lbb by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R396T variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5L9B
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BU of 5l9b by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-1ALPHA CODD (556-574)
Descriptor: 2-OXOGLUTARIC ACID, Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-10
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LA9
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BU of 5la9 by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/V314C) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-2)
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:2024-11-20
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5L9R
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BU of 5l9r by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-10
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LBF
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BU of 5lbf by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) K293K/G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-16
Release date:2016-08-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8995 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LAT
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BU of 5lat by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) P317R variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: BICARBONATE ION, Egl nine homolog 1, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
4LIU
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BU of 4liu by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli.
Descriptor: 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Brissett, N.C, Doherty, A.J, Fox, G.C.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4LIV
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BU of 4liv by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and succinic acid.
Descriptor: 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION, SUCCINIC ACID
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4AI9
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BU of 4ai9 by Molmil
JMJD2A Complexed with Daminozide
Descriptor: CHLORIDE ION, DAMINOZIDE, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4LIT
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BU of 4lit by Molmil
Structure of YcfD a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and 2-oxoglutarate.
Descriptor: 2-OXOGLUTARIC ACID, 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4BIS
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BU of 4bis by Molmil
JMJD2A COMPLEXED WITH 8-HYDROXYQUINOLINE-4-CARBOXYLIC ACID
Descriptor: 8-hydroxyquinoline-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Chowdhury, R, Thinnes, C, Schofield, C.J.
Deposit date:2013-04-12
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 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
4BIO
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BU of 4bio by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, FE (III) ION, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-04-12
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
7A5Z
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BU of 7a5z by Molmil
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ...
Authors:Lucic, A, Schofield, C.J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A60
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BU of 7a60 by Molmil
Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A61
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BU of 7a61 by Molmil
Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form)
Descriptor: (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7A63
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BU of 7a63 by Molmil
Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form)
Descriptor: (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.57000113 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
7AFZ
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BU of 7afz by Molmil
L1 metallo-b-lactamase with compound EBL-1306
Descriptor: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J, Brem, J.
Deposit date:2020-09-21
Release date:2021-10-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
6H8P
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BU of 6h8p by Molmil
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
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
5MMY
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BU of 5mmy by Molmil
Crystal structure of OXA10 with HEPES
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ...
Authors:Brem, J.
Deposit date:2016-12-12
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
5MOX
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BU of 5mox by Molmil
OXA-10 Avibactam complex with bound CO2
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ...
Authors:Brem, J.
Deposit date:2016-12-14
Release date:2017-07-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017

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數據於2025-07-23公開中

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