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PDB: 189 件

4C09
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BU of 4c09 by Molmil
Crystal structure of the metallo-beta-lactamase BCII
分子名称: BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-07-31
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4BQY
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HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine
分子名称: (2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid, EGL NINE HOMOLOG 1, FE (II) ION
著者Chowdhury, R, McDonough, M.A, Yeoh, K.K, Schofield, C.J.
登録日2013-06-03
公開日2013-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4C1H
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Crystal structure of the metallo-beta-lactamase BCII with L-captopril
分子名称: BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C1F
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BU of 4c1f by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril
分子名称: BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4GD4
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BU of 4gd4 by Molmil
Crystal Structure of JMJD2A Complexed with Inhibitor
分子名称: 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ...
著者King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC)
登録日2012-07-31
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal Structure of JMJD2A Complexed with Inhibitor
TO BE PUBLISHED
4DO0
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BU of 4do0 by Molmil
Crystal Structure of human PHF8 in complex with Daminozide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DAMINOZIDE, ...
著者Krojer, T, Daniel, M, Ng, S.S, Walport, L.J, Chowdhury, R, Arrowsmith, C.H, Edwards, A, Bountra, C, Kawamura, A, Muller-Knapp, S, McDonough, M.A, von Delft, F, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-02-09
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献

3HQU
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PHD2:Fe:UN9:partial HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
4IW3
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BU of 4iw3 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu)
分子名称: Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-01-23
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.697 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
3HQR
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PHD2:Mn:NOG:HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
4J0Q
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BU of 4j0q by Molmil
Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-01-31
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J25
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BU of 4j25 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H)
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, Putative uncharacterized protein
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-02-04
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4IE7
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BU of 4ie7 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with citrate and rhein (RHN)
分子名称: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, CITRATE ANION, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6004 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IE6
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BU of 4ie6 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5036 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IDZ
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BU of 4idz by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-oxalylglycine (NOG)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-OXALYLGLYCINE, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IE4
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BU of 4ie4 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
分子名称: 8-hydroxyquinoline-5-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5048 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4JHT
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BU of 4jht by Molmil
Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
分子名称: 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2013-03-05
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.18 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
4JAA
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BU of 4jaa by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)LEU peptide
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-(d)LEU, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Scotti, J.S, Ge, W, McDonough, M.A, Schofield, C.J.
登録日2013-02-18
公開日2014-02-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of an oxygenase in complex with substrate
To be Published
3MS5
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BU of 3ms5 by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
分子名称: 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ...
著者Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-04-29
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
4IE0
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BU of 4ie0 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IE5
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BU of 4ie5 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
3K2O
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BU of 3k2o by Molmil
Structure of an oxygenase
分子名称: ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ...
著者Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-09-30
公開日2009-11-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3U4S
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BU of 3u4s by Molmil
Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine
分子名称: HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ...
著者Ma, J, McDonough, M.A, Schofield, C.J.
登録日2011-10-10
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
3OBZ
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BU of 3obz by Molmil
Crystal structure of human phytanoyl-COA dioxygenase phyhd1 2-oxoglutarate and iron complex
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase domain-containing protein 1
著者Zhang, Z, McDonough, M.A, Schofield, C.J.
登録日2010-08-09
公開日2010-09-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Human PHYHD1, a Non-Heme Fe(II) and 2-Oxoglutarate Dependent Oxygenase Related to Phytanoyl-CoA Hydroxylase
To be Published
3OD4
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BU of 3od4 by Molmil
Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
分子名称: 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J.
登録日2010-08-10
公開日2011-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
To be Published

236963

件を2025-06-04に公開中

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