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2XGN
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BU of 2xgn by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: GLYCEROL, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-06-07
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2XF3
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BU of 2xf3 by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-05-20
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
著者Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2010-05-07
公開日2010-05-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4BIS
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BU of 4bis by Molmil
JMJD2A COMPLEXED WITH 8-HYDROXYQUINOLINE-4-CARBOXYLIC ACID
分子名称: 8-hydroxyquinoline-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Chowdhury, R, Thinnes, C, Schofield, C.J.
登録日2013-04-12
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
4AI9
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JMJD2A Complexed with Daminozide
分子名称: CHLORIDE ION, DAMINOZIDE, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2012-02-08
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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)
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-SER, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
著者Chowdhury, R, Ge, W, Schofield, C.J.
登録日2012-08-20
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献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
分子名称: 8-hydroxyquinoline-5-carboxylic acid, FE (III) ION, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-04-12
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
4BQX
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HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Chowdhury, R, Schofield, C.J.
登録日2013-06-03
公開日2013-06-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4BQW
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HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Mn(II) and 2-(4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid
分子名称: 2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
著者Chowdhury, R, Schofield, C.J.
登録日2013-06-03
公開日2013-06-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4BXF
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BU of 4bxf by Molmil
60S ribosomal protein L27A histidine hydroxylase (MINA53 Y209C) in complex with MN(II), 2-oxoglutarate (2OG) and 60S ribosomal protein L27A (RPL27A G37C) peptide fragment
分子名称: 2-OXOGLUTARIC ACID, 60S RIBOSOMAL PROTEIN L27A, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-07-10
公開日2014-05-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCJ
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BU of 4ccj by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCM
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BU of 4ccm by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCO
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BU of 4cco by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCN
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BU of 4ccn by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66 L299C/C300S) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-2)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCK
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BU of 4cck by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II) and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ...
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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)
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
著者Chowdhury, R, Ge, W, Schofield, C.J.
登録日2012-08-17
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
1MPL
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BU of 1mpl by Molmil
CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE
分子名称: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
著者Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A.
登録日2002-09-12
公開日2003-02-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
4NR1
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BU of 4nr1 by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)allyl-GLY peptide
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)allyl glycine, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-26
公開日2015-01-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure of an oxygenase in complex with substrate
To be Published
5OX6
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BU of 5ox6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat
分子名称: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Zhang, D, Schofield, C.J.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OX5
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BU of 5ox5 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound
分子名称: (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Thinnes, C.C, Schofield, C.J.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5A3U
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BU of 5a3u by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
分子名称: 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
著者Chowdhury, R, Gomez-Perez, V, Schofield, C.J.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
1SDE
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BU of 1sde by Molmil
Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor
分子名称: 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
登録日2004-02-13
公開日2004-10-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors
Biochemistry, 43, 2004
1SCW
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BU of 1scw by Molmil
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR
分子名称: (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
登録日2004-02-12
公開日2004-06-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors.
Biochemistry, 43, 2004
5L9V
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HIF prolyl hydroxylase 2 (PHD2-R281C/P317C) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-1)
分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-11
公開日2016-08-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LY2
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JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
分子名称: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
著者Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017

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