1R64
| 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
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8SBR
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4OX2
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1OT5
| 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
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2FAH
| 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
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4IP7
| 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
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2FAF
| 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
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2G50
| 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
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8F5U
| 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
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8F5T
| 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
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8F6M
| 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
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5V97
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5V9F
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5V9H
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5V9G
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5V95
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8FV6
| 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
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8FV8
| 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
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8FVD
| 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
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8FVA
| 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
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8FV9
| 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
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8FVB
| 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
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8FVE
| 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
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8FVC
| 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
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8FV7
| 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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