8E1U
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8ELL
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![BU of 8ell by Molmil](/molmil-images/mine/8ell) | Apo human biliverdin reductase beta (cryogenic) | Descriptor: | Flavin reductase (NADPH), SODIUM ION | Authors: | McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Front Mol Biosci, 10, 2023
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8ELM
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![BU of 8elm by Molmil](/molmil-images/mine/8elm) | Apo human biliverdin reductase beta (293K) | Descriptor: | Flavin reductase (NADPH), SODIUM ION | Authors: | McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Front Mol Biosci, 10, 2023
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6P5O
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8SBR
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8SG6
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![BU of 8sg6 by Molmil](/molmil-images/mine/8sg6) | SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2023-04-11 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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4YWD
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![BU of 4ywd by Molmil](/molmil-images/mine/4ywd) | Structure of rat cytosolic pepck in complex with 2,3-Pyridine dicarboxylic acid | Descriptor: | MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ... | Authors: | Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
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4YW8
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![BU of 4yw8 by Molmil](/molmil-images/mine/4yw8) | Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid | Descriptor: | 1,2-ETHANEDIOL, 3-sulfanylpyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
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4YW9
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![BU of 4yw9 by Molmil](/molmil-images/mine/4yw9) | Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid and GTP | Descriptor: | 3-sulfanylpyridine-2-carboxylic acid, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
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4YWB
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![BU of 4ywb by Molmil](/molmil-images/mine/4ywb) | Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid and oxalic acid | Descriptor: | 3-sulfanylpyridine-2-carboxylic acid, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Balan, M.D, Johnson, T.A, Lotosky, W.R, Mcleod, M.J, Holyoak, T. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
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8FV9
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![BU of 8fv9 by Molmil](/molmil-images/mine/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
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![BU of 8fvb by Molmil](/molmil-images/mine/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
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![BU of 8fv6 by Molmil](/molmil-images/mine/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
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![BU of 8fve by Molmil](/molmil-images/mine/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
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![BU of 8fv8 by Molmil](/molmil-images/mine/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
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![BU of 8fvc by Molmil](/molmil-images/mine/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
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![BU of 8fva by Molmil](/molmil-images/mine/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
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![BU of 8fvd by Molmil](/molmil-images/mine/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
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![BU of 8fv7 by Molmil](/molmil-images/mine/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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8DDL
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![BU of 8ddl by Molmil](/molmil-images/mine/8ddl) | SARS-CoV-2 Main Protease (Mpro) H163A Mutant Apo Structure | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ORF1a polyprotein, ... | Authors: | Tran, N, McLeod, M.J, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2022-06-18 | Release date: | 2023-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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8DD6
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![BU of 8dd6 by Molmil](/molmil-images/mine/8dd6) | SARS-CoV-2 Main Protease (Mpro) H163A Mutant in Complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, DIMETHYL SULFOXIDE, ORF1a polyprotein | Authors: | Tran, N, McLeod, M.J, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2022-06-17 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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7L36
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![BU of 7l36 by Molmil](/molmil-images/mine/7l36) | PEPCK steady-state structure with Mn and GTP | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E. | Deposit date: | 2020-12-17 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection. Iucrj, 8, 2021
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7L3V
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![BU of 7l3v by Molmil](/molmil-images/mine/7l3v) | PEPCK MMQX structure 120ms post-mixing with oxaloacetic acid | Descriptor: | CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E. | Deposit date: | 2020-12-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection. Iucrj, 8, 2021
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7L3M
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![BU of 7l3m by Molmil](/molmil-images/mine/7l3m) | PEPCK MMQX structure 40ms post-mixing with oxaloacetic acid | Descriptor: | CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E. | Deposit date: | 2020-12-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection. Iucrj, 8, 2021
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