8FDY
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![BU of 8fdy by Molmil](/molmil-images/mine/8fdy) | Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-05 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FDZ
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![BU of 8fdz by Molmil](/molmil-images/mine/8fdz) | Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-05 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FE0
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![BU of 8fe0 by Molmil](/molmil-images/mine/8fe0) | Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-05 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FDX
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![BU of 8fdx by Molmil](/molmil-images/mine/8fdx) | AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Nyman, M.C, Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FJW
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![BU of 8fjw by Molmil](/molmil-images/mine/8fjw) | Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8G8F
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![BU of 8g8f by Molmil](/molmil-images/mine/8g8f) | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8G7M
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![BU of 8g7m by Molmil](/molmil-images/mine/8g7m) | ATP-bound mtHsp60 V72I focus | Descriptor: | 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | Deposit date: | 2023-02-16 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
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8G7L
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![BU of 8g7l by Molmil](/molmil-images/mine/8g7l) | ATP-bound mtHsp60 V72I | Descriptor: | 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | Deposit date: | 2023-02-16 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
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8G7O
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![BU of 8g7o by Molmil](/molmil-images/mine/8g7o) | ATP- and mtHsp10-bound mtHsp60 V72I focus | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | Deposit date: | 2023-02-16 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
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8G7N
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![BU of 8g7n by Molmil](/molmil-images/mine/8g7n) | ATP- and mtHsp10-bound mtHsp60 V72I | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | Deposit date: | 2023-02-16 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
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8G7J
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![BU of 8g7j by Molmil](/molmil-images/mine/8g7j) | mtHsp60 V72I apo | Descriptor: | 60 kDa heat shock protein, mitochondrial | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | Deposit date: | 2023-02-16 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
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8G7K
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![BU of 8g7k by Molmil](/molmil-images/mine/8g7k) | mtHsp60 V72I apo focus | Descriptor: | 60 kDa heat shock protein, mitochondrial | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | Deposit date: | 2023-02-16 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly. Biorxiv, 2023
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8X6P
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![BU of 8x6p by Molmil](/molmil-images/mine/8x6p) | Isomerase Protein | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Guven, O, Demirci, H. | Deposit date: | 2023-11-21 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Isomerase Protein To Be Published
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8G9B
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![BU of 8g9b by Molmil](/molmil-images/mine/8g9b) | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-21 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8FJV
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![BU of 8fjv by Molmil](/molmil-images/mine/8fjv) | Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJX
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![BU of 8fjx by Molmil](/molmil-images/mine/8fjx) | Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJY
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![BU of 8fjy by Molmil](/molmil-images/mine/8fjy) | Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8WKO
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![BU of 8wko by Molmil](/molmil-images/mine/8wko) | |
8WKR
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![BU of 8wkr by Molmil](/molmil-images/mine/8wkr) | |
6AQY
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![BU of 6aqy by Molmil](/molmil-images/mine/6aqy) | |
6AZU
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![BU of 6azu by Molmil](/molmil-images/mine/6azu) | Holo IDO1 crystal structure | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Lewis, H.A, Yan, C. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6X5Y
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![BU of 6x5y by Molmil](/molmil-images/mine/6x5y) | IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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6BAC
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![BU of 6bac by Molmil](/molmil-images/mine/6bac) | |
6VCU
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![BU of 6vcu by Molmil](/molmil-images/mine/6vcu) | Homo sapiens FKBP12 protein bound with APX879 in P32 space group | Descriptor: | ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Gobeil, S, Spicer, L. | Deposit date: | 2019-12-23 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs. Mbio, 12, 2021
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5JQW
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![BU of 5jqw by Molmil](/molmil-images/mine/5jqw) | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthase | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-05 | Release date: | 2016-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP To Be Published
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