7MQX
| P. putida mandelate racemase forms an oxobenzoxaborole adduct with 2-formylphenylboronic acid | Descriptor: | (3S)-2,1-benzoxaborole-1,3(3H)-diol, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Grandinetti, L, Bearne, S.L, St.Maurice, M. | Deposit date: | 2021-05-06 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.914 Å) | Cite: | Slow-Onset, Potent Inhibition of Mandelate Racemase by 2-Formylphenylboronic Acid. An Unexpected Adduct Clasps the Catalytic Machinery. Biochemistry, 2021
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6VIM
| P. putida mandelate racemase co-crystallized with phenylboronic acid | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mandelate racemase, ... | Authors: | Grandinetti, L, Sharma, A.N, Bearne, S.L, St Maurice, M. | Deposit date: | 2020-01-13 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent Inhibition of Mandelate Racemase by Boronic Acids: Boron as a Mimic of a Carbon Acid Center. Biochemistry, 59, 2020
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4M6U
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4HNC
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4FP1
| P. putida mandelate racemase co-crystallized with 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl) propionic acid | Descriptor: | 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid, MAGNESIUM ION, Mandelate racemase | Authors: | Lietzan, A.D, St.Maurice, M. | Deposit date: | 2012-06-21 | Release date: | 2013-06-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Potent inhibition of mandelate racemase by a fluorinated substrate-product analogue with a novel binding mode. Biochemistry, 53, 2014
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4X2P
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3UXL
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8SBR
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3UXK
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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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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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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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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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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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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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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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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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