7N83
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![BU of 7n83 by Molmil](/molmil-images/mine/7n83) | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438 | Descriptor: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, 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: | 2021-06-12 | Release date: | 2021-09-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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7N7U
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![BU of 7n7u by Molmil](/molmil-images/mine/7n7u) | Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7 | Descriptor: | 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, 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 (2.06 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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7N7R
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![BU of 7n7r by Molmil](/molmil-images/mine/7n7r) | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267 | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 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 (2.01 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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7N7Y
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![BU of 7n7y by Molmil](/molmil-images/mine/7n7y) | Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050 | Descriptor: | Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate | 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 (2.09 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
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9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 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: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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9FS7
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![BU of 9fs7 by Molmil](/molmil-images/mine/9fs7) | Coxsackievirus A16 3C protease in C2 2 21 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R, MacLean, 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: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Coxsackievirus A16 3C protease in C2 2 21 spacegroup To Be Published
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5KB3
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![BU of 5kb3 by Molmil](/molmil-images/mine/5kb3) | 1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION | Authors: | Banco, M.T, Ronning, D.R. | Deposit date: | 2016-06-02 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.399 Å) | 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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5JPC
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![BU of 5jpc by Molmil](/molmil-images/mine/5jpc) | Joint X-ray/neutron structure of MTAN complex with Formycin A | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | Deposit date: | 2016-05-03 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | 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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5KWJ
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![BU of 5kwj by Molmil](/molmil-images/mine/5kwj) | M.tb Ag85C modified at C209 by amino-ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2016-07-18 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives. ACS Infect Dis, 3, 2017
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8QZZ
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![BU of 8qzz by Molmil](/molmil-images/mine/8qzz) | Crystal structure of human eIF2 alpha-gamma complexed with PPP1R15A_420-452 | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2023-10-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Substrate recruitment via eIF2 gamma enhances catalytic efficiency of a holophosphatase that terminates the integrated stress response. Proc.Natl.Acad.Sci.USA, 121, 2024
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5K1Z
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![BU of 5k1z by Molmil](/molmil-images/mine/5k1z) | Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | Deposit date: | 2016-05-18 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (2.6 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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5KWI
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![BU of 5kwi by Molmil](/molmil-images/mine/5kwi) | M.tb Ag85C modified at C209 by adamantyl-ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2016-07-18 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives. ACS Infect Dis, 3, 2017
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7B7Z
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![BU of 7b7z by Molmil](/molmil-images/mine/7b7z) | DeAMPylation complex of monomeric FICD and AMPylated BiP (state 1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Endoplasmic reticulum chaperone BiP, ... | Authors: | Perera, L.A, Ron, D. | Deposit date: | 2020-12-12 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
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7B80
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![BU of 7b80 by Molmil](/molmil-images/mine/7b80) | DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perera, L.A, Ron, D. | Deposit date: | 2020-12-12 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
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6ZYH
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![BU of 6zyh by Molmil](/molmil-images/mine/6zyh) | |
7A4U
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![BU of 7a4u by Molmil](/molmil-images/mine/7a4u) | |
8CNX
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![BU of 8cnx by Molmil](/molmil-images/mine/8cnx) | Structure of Enterovirus D68 3C protease | Descriptor: | Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-02-24 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure of EV D68 3C protease To Be Published
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4MQM
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![BU of 4mqm by Molmil](/molmil-images/mine/4mqm) | Crystal structure of Antigen 85C in presence of Ebselen | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C | Authors: | Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R. | Deposit date: | 2013-09-16 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.346 Å) | Cite: | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen. Nat Commun, 4, 2013
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4QEK
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![BU of 4qek by Molmil](/molmil-images/mine/4qek) | Crystal structure of Antigen 85C-S124A mutant | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION, alpha-D-glucopyranose | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | Deposit date: | 2014-05-16 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors. J.Biol.Chem., 289, 2014
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4QDZ
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![BU of 4qdz by Molmil](/molmil-images/mine/4qdz) | Crystal structure of Antigen 85C-E228Q mutant | Descriptor: | ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, HEXAETHYLENE GLYCOL | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | Deposit date: | 2014-05-14 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.885 Å) | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors. J.Biol.Chem., 289, 2014
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4QDU
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![BU of 4qdu by Molmil](/molmil-images/mine/4qdu) | |
4QE3
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![BU of 4qe3 by Molmil](/molmil-images/mine/4qe3) | Crystal structure of Antigen 85C-H260Q mutant | Descriptor: | ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | Deposit date: | 2014-05-15 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors. J.Biol.Chem., 289, 2014
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8CO8
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![BU of 8co8 by Molmil](/molmil-images/mine/8co8) | Structure of West Nile Virus NS2B-NS3 protease | Descriptor: | Serine protease subunit NS2B,Serine protease/Helicase NS3 | Authors: | Fairhead, M, Godoy, A.S, Koekemoer, L, Balcomb, B.H, Lithgo, R.M, Aschenbrenner, J.C, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-02-27 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of West Nile Virus NS2B-NS3 protease - to be published To Be Published
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4OJT
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![BU of 4ojt by Molmil](/molmil-images/mine/4ojt) | |
4QDT
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![BU of 4qdt by Molmil](/molmil-images/mine/4qdt) | |