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PDB: 186 results

4BQY
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BU of 4bqy by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine
Descriptor: (2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid, EGL NINE HOMOLOG 1, FE (II) ION
Authors:Chowdhury, R, McDonough, M.A, Yeoh, K.K, Schofield, C.J.
Deposit date:2013-06-03
Release date:2013-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4C1H
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BU of 4c1h by Molmil
Crystal structure of the metallo-beta-lactamase BCII with L-captopril
Descriptor: BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ...
Authors:Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
Deposit date:2013-08-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
7VCE
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BU of 7vce by Molmil
Structural studies of human inositol monophosphatase-1 inhibition by ebselen
Descriptor: Inositol monophosphatase 1
Authors:Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C.
Deposit date:2021-09-02
Release date:2022-09-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen.
J.Biomol.Struct.Dyn., 2023
4DO0
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BU of 4do0 by Molmil
Crystal Structure of human PHF8 in complex with Daminozide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DAMINOZIDE, ...
Authors: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)
Deposit date:2012-02-09
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:

5N55
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BU of 5n55 by Molmil
mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan (Compound 2)
Descriptor: (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan, Class B metallo-beta-lactamase, ZINC ION
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-13
Release date:2017-05-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
5N4T
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BU of 5n4t by Molmil
VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)
Descriptor: (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-11
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
3HQU
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BU of 3hqu by Molmil
PHD2:Fe:UN9:partial HIF1-alpha substrate complex
Descriptor: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2009-06-08
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
3HQR
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BU of 3hqr by Molmil
PHD2:Mn:NOG:HIF1-alpha substrate complex
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2009-06-08
Release date:2009-07-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
5N4S
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BU of 5n4s by Molmil
VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptophan (Compound 3)
Descriptor: (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-11
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
5N58
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BU of 5n58 by Molmil
di-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)
Descriptor: (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, GLYCEROL, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-13
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.957 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
5NAI
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BU of 5nai by Molmil
mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)
Descriptor: (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, FLUORIDE ION, ...
Authors:Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2017-02-28
Release date:2017-05-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
3K2O
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BU of 3k2o by Molmil
Structure of an oxygenase
Descriptor: ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ...
Authors: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)
Deposit date:2009-09-30
Release date:2009-11-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
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
Descriptor: HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ...
Authors:Ma, J, McDonough, M.A, Schofield, C.J.
Deposit date:2011-10-10
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
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)
Descriptor: Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J0Q
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BU of 4j0q by Molmil
Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-01-31
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.294 Å)
Cite: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)
Descriptor: MANGANESE (II) ION, N-OXALYLGLYCINE, Putative uncharacterized protein
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-02-04
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
3MS5
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BU of 3ms5 by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
Descriptor: 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ...
Authors: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)
Deposit date:2010-04-29
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
3O2G
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BU of 3o2g by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
Descriptor: 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ...
Authors: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)
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
3OBZ
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BU of 3obz by Molmil
Crystal structure of human phytanoyl-COA dioxygenase phyhd1 2-oxoglutarate and iron complex
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase domain-containing protein 1
Authors:Zhang, Z, McDonough, M.A, Schofield, C.J.
Deposit date:2010-08-09
Release date:2010-09-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors: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.
Deposit date:2010-08-10
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
To be Published
4NHX
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BU of 4nhx by Molmil
Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with N-oxalylglycine (NOG)
Descriptor: 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Horita, S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-11-05
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NJ4
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BU of 4nj4 by Molmil
Crystal Structure of Human ALKBH5
Descriptor: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-11-08
Release date:2014-01-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure of human RNA N6-methyladenine demethylase ALKBH5 provides insights into its mechanisms of nucleic acid recognition and demethylation.
Nucleic Acids Res., 42, 2014
4PVT
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BU of 4pvt by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
Authors:Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4NHM
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BU of 4nhm by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-11-05
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015

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