Author results

6HL5
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC, NOG AND ASPP1(932-954)
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, Apoptosis-stimulating of p53 protein 1, GLYCEROL, ...
Authors:Leissing, T.M., Chowdhury, R., Clifton, I.J., Lu, X., Schofield, C.J.
Deposit date:2018-09-10
Release date:2019-10-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP1(932-954)
To Be Published
6HL6
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC, NOG AND IASPP(670-693)
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, RelA-associated inhibitor, GLYCEROL, ...
Authors:Leissing, T.M., Chowdhury, R., Clifton, I.J., Lu, X., Schofield, C.J.
Deposit date:2018-09-10
Release date:2019-10-09
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
To Be Published
6HKP
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC, NOG AND ASPP2 (970-992)
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, Apoptosis-stimulating of p53 protein 2, SULFATE ION, ...
Authors:Leissing, T.M., Clifton, I.J., Lu, X., Schofield, C.J.
Deposit date:2018-09-07
Release date:2019-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and ASPP2 (970-992)
To Be Published
6HA6
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC, NOG AND TRPV3 (220-246)
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, Transient receptor potential cation channel subfamily V member 3, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M., Clifton, I.J., Saward, B.G., Lu, X., Hopkinson, R.J., Schofield, C.J.
Deposit date:2018-08-07
Release date:2019-08-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
To Be Published
6HC8
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC, NOG AND TRPA1 (313-339)
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, Transient receptor potential cation channel subfamily A member 1, ZINC ION, ...
Authors:Leissing, T.M., Clifton, I.J., Saward, B.G., Lu, X., Hopkinson, R.J., Schofield, C.J.
Deposit date:2018-08-14
Release date:2019-08-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339)
To Be Published
6H9J
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC, NOG AND TRPV3 (229-255)
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, Transient receptor potential cation channel subfamily V member 3, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M., Clifton, I.J., Saward, B.G., Lu, X., Hopkinson, R.J., Schofield, C.J.
Deposit date:2018-08-04
Release date:2019-08-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255)
To Be Published
5TRQ
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WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE
Descriptor:WelO5, NICKEL (II) ION, SUCCINIC ACID, ...
Authors:McDonough, M.A., Gallimore, E., Clifton, I.J.
Deposit date:2016-10-27
Release date:2017-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE
To be published
5OP6
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC AND GSK128863
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, ZINC ION, SULFATE ION, ...
Authors:Leissing, T.M., Schofield, C.J., Clifton, I.J., Thinnes, C.C., Lu, X.
Deposit date:2017-08-09
Release date:2017-10-18
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OP8
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC AND MOLIDUSTAT
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, ZINC ION, 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, ...
Authors:Leissing, T.M., Schofield, C.J., Clifton, I.J., Lu, X.
Deposit date:2017-08-09
Release date:2017-10-18
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OPC
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FACTOR INHIBITING HIF (FIH) IN COMPLEX WITH ZINC AND VADADUSTAT
Descriptor:Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ZINC ION, ...
Authors:Leissing, T.M., Schofield, C.J., Clifton, I.J., Lu, X., Zhang, D.
Deposit date:2017-08-09
Release date:2017-10-18
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OX5
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HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH CCT6, A GSK1278863-RELATED COMPOUND
Descriptor:Egl nine homolog 1, MANGANESE (II) ION, (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, ...
Authors:Chowdhury, R., Thinnes, C.C., Schofield, C.J.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OX6
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HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH VADADUSTAT
Descriptor:Egl nine homolog 1, MANGANESE (II) ION, Vadadustat, ...
Authors:Chowdhury, R., Zhang, D., Schofield, C.J.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5T22
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WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE P 21 CRYSTAL FORM
Descriptor:WelO5, NICKEL (II) ION, 2-OXOGLUTARIC ACID
Authors:Gallimore, E.O., McDonough, M.A., Clifton, I.J.
Deposit date:2016-08-23
Release date:2017-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
To Be Published
5MMY
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CRYSTAL STRUCTURE OF OXA10 WITH HEPES
Descriptor:Beta-lactamase OXA-10, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Brem, J.
Deposit date:2016-12-12
Release date:2017-07-12
Last modified:2017-07-26
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
5MNU
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OXA-10 AVIBACTAM COMPLEX WITH BOUND BROMIDE
Descriptor:Beta-lactamase OXA-10, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, GLYCEROL, ...
Authors:Brem, J., McDonough, M., Clifton, I.
Deposit date:2016-12-13
Release date:2017-07-12
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.56 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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OXA-10 AVIBACTAM COMPLEX WITH BOUND CO2
Descriptor:Beta-lactamase OXA-10, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, SODIUM ION, ...
Authors:Brem, J.
Deposit date:2016-12-14
Release date:2017-07-12
Last modified:2017-07-26
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
5MOZ
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OXA-10 AVIBACTAM COMPLEX WITH BOUND IODIDE
Descriptor:Beta-lactamase OXA-10, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, GLYCEROL, ...
Authors:Brem, J.
Deposit date:2016-12-15
Release date:2017-07-12
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.34 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
5N4S
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VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ((S)-3-MERCAPTO-2-METHYLPROPANOYL)-D-TRYPTOPHAN (COMPOUND 3)
Descriptor:Beta-lactamase VIM-2, ZINC ION, (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic 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:2019-10-16
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
5N4T
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VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ((S)-3-MERCAPTO-2-METHYLPROPANOYL)-L-TRYPTOPHAN (COMPOUND 4)
Descriptor:Beta-lactamase VIM-2, ZINC ION, (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic 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:2017-06-07
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
5N55
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MONO-ZINC VIM-5 METALLO-BETA-LACTAMASE IN COMPLEX WITH (1-CHLORO-4-HYDROXYISOQUINOLINE-3-CARBONYL)-L-TRYPTOPHAN (COMPOUND 2)
Descriptor:Class B metallo-beta-lactamase, ZINC ION, (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan
Authors:Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Deposit date:2017-02-13
Release date:2017-05-17
Last modified:2017-06-07
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
5N58
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DI-ZINC VIM-5 METALLO-BETA-LACTAMASE IN COMPLEX WITH (1-CHLORO-4-HYDROXYISOQUINOLINE-3-CARBONYL)-D-TRYPTOPHAN (COMPOUND 1)
Descriptor:Class B metallo-beta-lactamase, ZINC ION, (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, ...
Authors:Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Deposit date:2017-02-13
Release date:2017-05-17
Last modified:2017-06-07
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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MONO-ZINC VIM-5 METALLO-BETA-LACTAMASE IN COMPLEX WITH (1-CHLORO-4-HYDROXYISOQUINOLINE-3-CARBONYL)-D-TRYPTOPHAN (COMPOUND 1)
Descriptor:Class B metallo-beta-lactamase, ZINC ION, (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, ...
Authors:Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.
Deposit date:2017-02-28
Release date:2017-05-17
Last modified:2017-06-07
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
5J4R
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WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
Descriptor:WelO5, 2-OXOGLUTARIC ACID, NICKEL (II) ION
Authors:McDonough, M.A., Gallimore, E., Clifton, I.J., Schofield, C.J.
Deposit date:2016-04-01
Release date:2017-04-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
To Be Published
5FQ9
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CRYSTAL STRUCTURE OF THE OXA10 WITH 1C
Descriptor:BETA-LACTAMASE OXA-10, (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, GLYCEROL, ...
Authors:Brem, J., McDonough, M.A., Cain, R., Clifton, I., Fishwick, C.W.G., Schofield, C.J.
Deposit date:2015-12-08
Release date:2016-08-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
5FQC
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CRYSTAL STRUCTURE OF THE METALLO-BETA-LACTAMASE VIM-2 WITH 2C
Descriptor:BETA-LACTAMASE, FORMIC ACID, ZINC ION, ...
Authors:Brem, J., Cain, R., McDonough, M.A., Clifton, I.J., Fishwick, C.W.G., Schofield, C.J.
Deposit date:2015-12-08
Release date:2016-08-17
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016