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PDB: 78 results

1R64
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BU of 1r64 by Molmil
The 2.2 A crystal structure of Kex2 protease in complex with Ac-Arg-Glu-Lys-boroArg peptidyl boronic acid inhibitor
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Holyoak, T, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D.
Deposit date:2003-10-14
Release date:2004-03-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Differences in Substrate Selectivity in Kex2 and Furin Protein Convertases
Biochemistry, 43, 2004
8SBR
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BU of 8sbr by Molmil
E coli. CTP synthase in complex with CTP (sodium malonate + 20 mM MgCl2)
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-04-04
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
4OX2
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BU of 4ox2 by Molmil
I45T cytosolic phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
Descriptor: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Holyoak, T.
Deposit date:2014-02-04
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three rare diseases in one Sib pair: RAI1, PCK1, GRIN2B mutations associated with Smith-Magenis Syndrome, cytosolic PEPCK deficiency and NMDA receptor glutamate insensitivity.
Mol.Genet.Metab., 113, 2014
1OT5
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BU of 1ot5 by Molmil
The 2.4 Angstrom Crystal Structure of Kex2 in complex with a peptidyl-boronic acid inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-Ala-Lys-boroArg N-acetylated boronic acid peptide inhibitor, ...
Authors:Holyoak, T, Wilson, M.A, Fenn, T.D, Kettner, C.A, Petsko, G.A, Fuller, R.S, Ringe, D.
Deposit date:2003-03-21
Release date:2003-06-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor
Biochemistry, 42, 2003
2FAH
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BU of 2fah by Molmil
The structure of mitochondrial PEPCK, Complex with Mn and GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MALONIC ACID, MANGANESE (II) ION, ...
Authors:Holyoak, T, Sullivan, S.M, Nowak, T.
Deposit date:2005-12-07
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Insights into the Mechanism of PEPCK Catalysis
Biochemistry, 45, 2006
4IP7
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BU of 4ip7 by Molmil
Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP.
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2013-01-09
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
2FAF
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BU of 2faf by Molmil
The structure of chicken mitochondrial PEPCK.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MANGANESE (II) ION, PENTAETHYLENE GLYCOL, ...
Authors:Holyoak, T, Sullivan, S.M, Nowak, T.
Deposit date:2005-12-07
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into the Mechanism of PEPCK Catalysis
Biochemistry, 45, 2006
2G50
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BU of 2g50 by Molmil
The location of the allosteric amino acid binding site of muscle pyruvate kinase.
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALANINE, ...
Authors:Holyoak, T, Williams, R, Fenton, A.W.
Deposit date:2006-02-22
Release date:2006-05-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Differentiating a Ligand's Chemical Requirements for Allosteric Interactions from Those for Protein Binding. Phenylalanine Inhibition of Pyruvate Kinase.
Biochemistry, 45, 2006
8F5U
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BU of 8f5u by Molmil
Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-15
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F5T
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BU of 8f5t by Molmil
Rabbit muscle pyruvate kinase in complex with sodium and magnesium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-15
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F6M
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BU of 8f6m by Molmil
Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex.
Descriptor: (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-16
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
5V97
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BU of 5v97 by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with GTP.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
5V9F
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BU of 5v9f by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with beta sulfopyruvate and GTP.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
5V9H
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BU of 5v9h by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with phosphoglycolate and GDP.
Descriptor: 2-PHOSPHOGLYCOLIC ACID, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
5V9G
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BU of 5v9g by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with oxalate and GTP.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
5V95
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BU of 5v95 by Molmil
Structure of the H477R variant of rat cytosolic PEPCK in complex with manganese.
Descriptor: MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ...
Authors:Holyoak, T, Cui, D.S.
Deposit date:2017-03-23
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Asymmetric Anchoring Is Required for Efficient Omega-Loop Opening and Closing in Cytosolic Phosphoenolpyruvate Carboxykinase.
Biochemistry, 56, 2017
8FV6
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BU of 8fv6 by Molmil
E coli. CTP synthase in complex with dF-dCTP
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FV8
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BU of 8fv8 by Molmil
E coli. CTP synthase in complex with dF-dCTP + ADP
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), ADENOSINE-5'-DIPHOSPHATE, CTP synthase, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVD
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BU of 8fvd by Molmil
E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 100 mM MgCl2)
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MAGNESIUM ION, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVA
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BU of 8fva by Molmil
E coli. CTP synthase in complex with F-araCTP
Descriptor: 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, CTP synthase, MALONIC ACID, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FV9
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BU of 8fv9 by Molmil
E coli. CTP synthase in complex with F-dCTP
Descriptor: 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVB
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BU of 8fvb by Molmil
E coli. CTP synthase in complex with CTP
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVE
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BU of 8fve by Molmil
E coli. CTP synthase in complex with CTP (potassium malonate + 100 mM MgCl2)
Descriptor: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FVC
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BU of 8fvc by Molmil
E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 5 mM MgCl2)
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
8FV7
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BU of 8fv7 by Molmil
E coli. CTP synthase in complex with dF-dCTP + ATP
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, ...
Authors:Holyoak, T, McLeod, M.J, Tran, N.
Deposit date:2023-01-18
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023

 

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