4UYB
| Crystal structure of SEC14-like protein 3 | Descriptor: | 1,2-ETHANEDIOL, SEC14-LIKE PROTEIN 3, UNKNOWN LIGAND | Authors: | Kopec, J, Goubin, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-08-29 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Sec14-Like Protein 3 To be Published
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5L76
| Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form) To Be Published
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5L78
| Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) To Be Published
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7Q12
| Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0S
| Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-16 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q13
| Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate, uridine diphosphate, and glucose | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0B
| Human GYS1-GYG1 complex inhibited state | Descriptor: | Glycogen [starch] synthase, muscle, Glycogenin-1 | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-14 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7R4N
| Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ... | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7R4P
| Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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7R4O
| Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | Descriptor: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
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5MPO
| Crystal structure of human molybdopterin synthase complex | Descriptor: | Molybdopterin synthase catalytic subunit, Molybdopterin synthase sulfur carrier subunit | Authors: | Kopec, J, Bailey, H, Fitzpatrick, F, Strain-Damerell, C, Oberholzer, A.E, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2016-12-16 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of human molybdopterin synthase complex To Be Published
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6Y41
| Fibrinogen-like globe domain of human ANGPTL2 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ... | Authors: | Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-19 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fibrinogen-like globe domain of human ANGPTL2 To Be Published
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6Y43
| Fibrinogen-like globe domain of human ANGPTL6 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Angiopoietin-related protein 6, ... | Authors: | Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-19 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fibrinogen-like globe domain of human ANGPTL6 To Be Published
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6ZGZ
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGX
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGY
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGV
| Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6ZGW
| Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | Descriptor: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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8QA6
| MTHFR + SAM inhibited state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYLMETHIONINE | Authors: | Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J. | Deposit date: | 2023-08-22 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase. Nat Commun, 15, 2024
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8QA4
| MTHFR + SAH symmetric dis-inhibited state | Descriptor: | Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J. | Deposit date: | 2023-08-22 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase. Nat Commun, 15, 2024
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8QA5
| MTHFR + SAH asymmetric dis-inhibited state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase (NADPH), S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Blomgren, L.K.M, Yue, W.W, Froese, D.S, McCorvie, T.J. | Deposit date: | 2023-08-22 | Release date: | 2023-11-08 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Dynamic inter-domain transformations mediate the allosteric regulation of human 5, 10-methylenetetrahydrofolate reductase. Nat Commun, 15, 2024
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8S5M
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8S5L
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8S5J
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8S5H
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