3UBR
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![BU of 3ubr by Molmil](/molmil-images/mine/3ubr) | Laue structure of Shewanella oneidensis cytochrome-c Nitrite Reductase | Descriptor: | CALCIUM ION, Cytochrome c-552, HEME C | Authors: | Youngblut, M, Judd, E.T, Srajer, V, Sayed, B, Goeltzner, T, Elliott, S, Schmidt, M, Pacheco, A. | Deposit date: | 2011-10-24 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Laue crystal structure of Shewanella oneidensis cytochrome c nitrite reductase from a high-yield expression system. J.Biol.Inorg.Chem., 17, 2012
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6ECK
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![BU of 6eck by Molmil](/molmil-images/mine/6eck) | Pyruvate Kinase Isoform L-type with phosphorylated Ser113 (pS113) in complex with FBP | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, CITRATE ANION, ... | Authors: | Padyana, A, Tong, S. | Deposit date: | 2018-08-08 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Rep, 29, 2019
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6ECH
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![BU of 6ech by Molmil](/molmil-images/mine/6ech) | Pyruvate Kinase Isoform L-type with phosphorylated Ser12 (pS12) in complex with FBP | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Padyana, A, Tong, S. | Deposit date: | 2018-08-07 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Rep, 29, 2019
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7RWH
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![BU of 7rwh by Molmil](/molmil-images/mine/7rwh) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RWG
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![BU of 7rwg by Molmil](/molmil-images/mine/7rwg) | "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | Descriptor: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW7
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![BU of 7rw7 by Molmil](/molmil-images/mine/7rw7) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | Descriptor: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW5
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![BU of 7rw5 by Molmil](/molmil-images/mine/7rw5) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | Descriptor: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Jin, L, Padyana, A.K. | Deposit date: | 2021-08-19 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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8TBT
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![BU of 8tbt by Molmil](/molmil-images/mine/8tbt) | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ... | Authors: | Jin, L, Padyana, A. | Deposit date: | 2023-06-29 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
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8TBU
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![BU of 8tbu by Molmil](/molmil-images/mine/8tbu) | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... | Authors: | Jin, L, Padyana, A. | Deposit date: | 2023-06-29 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
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8TBS
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![BU of 8tbs by Molmil](/molmil-images/mine/8tbs) | Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... | Authors: | Jin, L, Padyana, A. | Deposit date: | 2023-06-29 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
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4PKC
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![BU of 4pkc by Molmil](/molmil-images/mine/4pkc) | Benzylsuccinate alpha-gamma complex | Descriptor: | CHLORIDE ION, GLYCEROL, TutD, ... | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2014-05-14 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of benzylsuccinate synthase elucidate roles of accessory subunits in glycyl radical enzyme activation and activity. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PKF
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![BU of 4pkf by Molmil](/molmil-images/mine/4pkf) | Benzylsuccinate synthase alpha-beta-gamma complex | Descriptor: | CHLORIDE ION, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Funk, M.A, Drennan, C.L. | Deposit date: | 2014-05-14 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structures of benzylsuccinate synthase elucidate roles of accessory subunits in glycyl radical enzyme activation and activity. Proc.Natl.Acad.Sci.USA, 111, 2014
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