7SEY
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![BU of 7sey by Molmil](/molmil-images/mine/7sey) | M. tb EgtD in complex with SGH | Descriptor: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-02 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7SEW
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![BU of 7sew by Molmil](/molmil-images/mine/7sew) | M. tb EgtD in complex with HD6 | Descriptor: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-02 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7SF5
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![BU of 7sf5 by Molmil](/molmil-images/mine/7sf5) | M. tb EgtD in complex with HD3 | Descriptor: | Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-03 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7SF4
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![BU of 7sf4 by Molmil](/molmil-images/mine/7sf4) | M. tb EgtD in complex with imatinib | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ... | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-03 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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7SCF
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![BU of 7scf by Molmil](/molmil-images/mine/7scf) | M. tb EgtD in complex with HD2 | Descriptor: | (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-09-28 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
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6ZYI
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![BU of 6zyi by Molmil](/molmil-images/mine/6zyi) | |
6ZYJ
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![BU of 6zyj by Molmil](/molmil-images/mine/6zyj) | Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Yan, Y, Preissler, S, Ron, D. | Deposit date: | 2020-08-01 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes. Elife, 9, 2020
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7A4V
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![BU of 7a4v by Molmil](/molmil-images/mine/7a4v) | |
7NXV
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![BU of 7nxv by Molmil](/molmil-images/mine/7nxv) | Crystal structure of the complex of DNase I/G-actin/PPP1R15A_582-621 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2021-03-19 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
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7NZM
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![BU of 7nzm by Molmil](/molmil-images/mine/7nzm) | Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yan, Y, Hardwick, S, Ron, D. | Deposit date: | 2021-03-24 | Release date: | 2021-09-29 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
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6SHC
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![BU of 6shc by Molmil](/molmil-images/mine/6shc) | Crystal structure of human IRE1 luminal domain Q105C | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Yan, Y, Ron, D. | Deposit date: | 2019-08-06 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Unstructured regions in IRE1 alpha specify BiP-mediated destabilisation of the luminal domain dimer and repression of the UPR. Elife, 8, 2019
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5CCE
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![BU of 5cce by Molmil](/molmil-images/mine/5cce) | Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine | Descriptor: | 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ... | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | Deposit date: | 2015-07-02 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6H9U
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![BU of 6h9u by Molmil](/molmil-images/mine/6h9u) | Crystal structure of the BiP NBD and MANF SAP complex | Descriptor: | D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2018-08-06 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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5CCD
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![BU of 5ccd by Molmil](/molmil-images/mine/5ccd) | |
6HA7
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![BU of 6ha7 by Molmil](/molmil-images/mine/6ha7) | Crystal structure of the BiP NBD and MANF complex | Descriptor: | 1,2-ETHANEDIOL, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor | Authors: | Yan, Y, Ron, D. | Deposit date: | 2018-08-07 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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6I7J
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![BU of 6i7j by Molmil](/molmil-images/mine/6i7j) | Crystal structure of monomeric FICD mutant L258D | Descriptor: | Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6I7K
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![BU of 6i7k by Molmil](/molmil-images/mine/6i7k) | Crystal structure of monomeric FICD mutant L258D complexed with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ETHANOL, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6HAB
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![BU of 6hab by Molmil](/molmil-images/mine/6hab) | Crystal structure of BiP V461F (apo) | Descriptor: | DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP | Authors: | Yan, Y, Ron, D. | Deposit date: | 2018-08-07 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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6I7I
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![BU of 6i7i by Molmil](/molmil-images/mine/6i7i) | Crystal structure of dimeric FICD mutant K256A complexed with MgATP | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6I7G
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![BU of 6i7g by Molmil](/molmil-images/mine/6i7g) | Crystal structure of dimeric wild type FICD complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6I7L
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![BU of 6i7l by Molmil](/molmil-images/mine/6i7l) | Crystal structure of monomeric FICD mutant L258D complexed with MgAMP-PNP | Descriptor: | Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6I7H
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![BU of 6i7h by Molmil](/molmil-images/mine/6i7h) | Crystal structure of dimeric FICD mutant K256S | Descriptor: | Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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9FSB
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![BU of 9fsb by Molmil](/molmil-images/mine/9fsb) | Coxsackievirus B3 3C protease in P121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-20 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Coxsackievirus B3 3C protease in P121 spacegroup To Be Published
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9FQ2
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![BU of 9fq2 by Molmil](/molmil-images/mine/9fq2) | Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
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7N7W
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![BU of 7n7w by Molmil](/molmil-images/mine/7n7w) | Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569 | Descriptor: | N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2021-06-11 | Release date: | 2021-09-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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