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1YCI
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BU of 1yci by Molmil
Factor inhibiting HIF-1 alpha in complex with N-(carboxycarbonyl)-D-phenylalanine
Descriptor: FE (II) ION, Hypoxia-inducible factor 1 alpha inhibitor, N-(CARBOXYCARBONYL)-D-PHENYLALANINE, ...
Authors:McDonough, M.A, Schofield, C.J.
Deposit date:2004-12-22
Release date:2005-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Selective inhibition of factor inhibiting hypoxia-inducible factor
J.Am.Chem.Soc., 127, 2005
1CP9
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BU of 1cp9 by Molmil
CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI
Descriptor: CALCIUM ION, Penicillin G amidase, SULFATE ION
Authors:McDonough, M.A, Klei, H.E, Kelly, J.A.
Deposit date:1999-06-12
Release date:1999-06-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of penicillin G acylase from the Bro1 mutant strain of Providencia rettgeri.
Protein Sci., 8, 1999
1IKI
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BU of 1iki by Molmil
COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
Descriptor: D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE
Authors:Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
1IKG
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BU of 1ikg by Molmil
MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
Authors:Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
3ZSC
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BU of 3zsc by Molmil
Catalytic function and substrate recognition of the pectate lyase from Thermotoga maritima
Descriptor: 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, GLYCEROL, PECTATE TRISACCHARIDE-LYASE, ...
Authors:McDonough, M.A, Thymark, M, Frisner, H, Hotchkiss, A, Sonksen, C, Bjornvad, M, Johansen, K.S, Larsen, S.
Deposit date:2011-06-24
Release date:2012-07-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Catalytic Function and Substrate Recognition of the Pectate Lyase from Thermotoga Maritima
To be Published
2G1M
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BU of 2g1m by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
Descriptor: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Mcdonough, M.A, Schofield, C.J.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
1NKG
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BU of 1nkg by Molmil
Rhamnogalacturonan lyase from Aspergillus aculeatus
Descriptor: CALCIUM ION, Rhamnogalacturonase B, SULFATE ION
Authors:McDonough, M.A, Kadirvelraj, R, Harris, P, Poulsen, J.C, Larsen, S.
Deposit date:2003-01-03
Release date:2004-05-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rhamnogalacturonan lyase reveals a unique three-domain modular structure for polysaccharide lyase family 4.
Febs Lett., 565, 2004
3D8C
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BU of 3d8c by Molmil
Factor inhibiting HIF-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate and HIF-1 alpha 19mer
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ...
Authors:McDonough, M.A, Chowdhury, R, Schofield, C.J.
Deposit date:2008-05-23
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH).
J.Biol.Chem., 283, 2008
2ILM
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BU of 2ilm by Molmil
Factor Inhibiting HIF-1 Alpha D201A Mutant in Complex with FE(II), Alpha-Ketoglutarate and HIF-1 Alpha 35mer
Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, FE (II) ION, ...
Authors:Mcdonough, M.A, Schofield, C.J.
Deposit date:2006-10-03
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH).
J.Biol.Chem., 283, 2008
2A1X
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BU of 2a1x by Molmil
Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase
Authors:Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2005-06-21
Release date:2005-08-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease
J.Biol.Chem., 280, 2005
2CGN
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BU of 2cgn by Molmil
FACTOR INHIBITING HIF-1 ALPHA with succinate
Descriptor: FE (III) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, SUCCINIC ACID, ...
Authors:McDonough, M.A, Clifton, I.J, Schofield, C.J.
Deposit date:2006-03-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
2CGO
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BU of 2cgo by Molmil
FACTOR INHIBITING HIF-1 ALPHA with fumarate
Descriptor: FE (III) ION, FUMARIC ACID, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ...
Authors:McDonough, M.A, Clifton, I.J, Schofield, C.J.
Deposit date:2006-03-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
Descriptor: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6F0W
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BU of 6f0w by Molmil
prolyl hydroxylase in complex with hypoxia inducible factor oxygen degradation domain peptide fragment from Trichoplax adhaerens
Descriptor: HIF prolyl hydroxylase, Hypoxia inducible factor, alpha subunit, ...
Authors:McDonough, M.A, Boleininger, A, Schofield, C.J.
Deposit date:2017-11-20
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Born to sense: biophysical analyses of the oxygen sensing prolyl hydroxylase from the simplest animal Trichoplax adhaerens.
Hypoxia (Auckl), 6, 2018
6EY1
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BU of 6ey1 by Molmil
prolyl hydroxylase from Trichoplax adhaerens
Descriptor: ACETATE ION, GLYCEROL, HIF prolyl hydroxylase, ...
Authors:McDonough, M.A, Boleininger, A.
Deposit date:2017-11-10
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Born to sense: biophysical analyses of the oxygen sensing prolyl hydroxylase from the simplest animal Trichoplax adhaerens.
Hypoxia (Auckl), 6, 2018
1HVB
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BU of 1hvb by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN
Descriptor: 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE
Authors:McDonough, M.A, Lee, W, Silvaggi, N.R, Mobashery, S, Kelly, J.A.
Deposit date:2001-01-08
Release date:2001-02-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
3UIW
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BU of 3uiw by Molmil
Zebrafish Grx2 (APO)
Descriptor: GLUTATHIONE, Glutaredoxin 2, SULFATE ION
Authors:McDonough, M.A, Johansson, C.
Deposit date:2011-11-06
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:A New Mode of Iron-sulfur Cluster Coordination in Glutaredoxins is Crucial for Axonogenesis
To be Published
4YR7
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BU of 4yr7 by Molmil
Structure of LuxP In Complex With 1-deoxy-alpha-L-xylulofuranose-1,2-borate
Descriptor: 1-deoxy-alpha-L-xylulofuranose-1,2-borate, Autoinducer 2-binding periplasmic protein LuxP
Authors:McDonough, M.A, Sattin, S, Davis, B.G.
Deposit date:2015-03-14
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.533 Å)
Cite:Discovery of Glycomimetic Agonists from a Protocell Metabolism, Proto-natural Product Libraries
To Be Published
5J4R
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BU of 5j4r by Molmil
WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, NICKEL (II) ION, WelO5
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
6RK9
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BU of 6rk9 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and cyclic peptide substrate mimic of factor X
Descriptor: ACA-LYS-ASP-GLY-LEU-GLY-GLU-TYR-THR-CYS-THR-SER-LEU-GLU-GLY-PHE-GLU, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2019-04-30
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5JQY
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BU of 5jqy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-05
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5JZA
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BU of 5jza by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese and N-oxalylglycine
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, MANGANESE (II) ION, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-16
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5JZU
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BU of 5jzu by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment (26mer)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, MANGANESE (II) ION, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-17
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5JZ8
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BU of 5jz8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer)
Descriptor: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-16
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5JTC
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BU of 5jtc by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-09
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Aspartate/asparagine-beta-hydroxylase: a high-throughput mass spectrometric assay for discovery of small molecule inhibitors.
Sci Rep, 10, 2020

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