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2YBP
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BU of 2ybp by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)
分子名称: (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2011-03-09
公開日2011-03-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant 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, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
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)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献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)
分子名称: BICARBONATE ION, CHLORIDE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献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)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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)
分子名称: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-10
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-16
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8995 Å)
主引用文献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)
分子名称: 2-OXOGLUTARIC ACID, Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-10
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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)
分子名称: BICARBONATE ION, Egl nine homolog 1, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
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2016-06-14
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5L9V
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BU of 5l9v by Molmil
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2024-01-10
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
5LAS
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BU of 5las by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/P317C/R396T) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-3)
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2016-06-14
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-07-25
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
3EQB
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BU of 3eqb by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-09-30
公開日2008-11-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
6YW2
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BU of 6yw2 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic FG2216 and RaPID-derived cyclic peptide 3C (14-mer)
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2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW3
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BU of 6yw3 by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) in complex with N-Oxalyl Glycine (NOG), HIF-1ALPHA CODD (556-574) and a RaPID-derived cyclic peptide 3C (14-mer)
分子名称: Egl nine homolog 1, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
著者Chowdhury, R, Schofield, C.J.
登録日2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.279 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW4
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BU of 6yw4 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG) and a RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
分子名称: Egl nine homolog 1, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
著者Chowdhury, R, Schofield, C.J.
登録日2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6YW1
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BU of 6yw1 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and RaPID-derived silent allosteric cyclic peptide 3C (14-mer)
分子名称: 2-OXOGLUTARIC ACID, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Schofield, C.J.
登録日2020-04-29
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
6EDZ
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BU of 6edz by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA, form I
分子名称: ACETYL COENZYME *A, Isocitrate lyase 2
著者Bashiri, G, Bhusal, R, Leung, I.
登録日2018-08-12
公開日2019-08-14
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
6EDW
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BU of 6edw by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in the apo form
分子名称: GLYCEROL, Isocitrate lyase 2, MAGNESIUM ION
著者Bashiri, G, Bhusal, R, Leung, I.
登録日2018-08-12
公開日2019-08-14
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
6EE1
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BU of 6ee1 by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, Isocitrate lyase 2, MAGNESIUM ION
著者Bashiri, G, Bhusal, R, Leung, I.
登録日2018-08-12
公開日2019-08-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT 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, Tarhonskaya, H, Schofield, C.J.
登録日2014-08-11
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
7E8Z
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BU of 7e8z by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81
分子名称: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S.
登録日2021-03-03
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
7NRO
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BU of 7nro by Molmil
Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium
分子名称: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION
著者Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2021-03-04
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
5OPC
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BU of 5opc by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat
分子名称: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D.
登録日2017-08-09
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017

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件を2024-09-04に公開中

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