7NKD
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![BU of 7nkd by Molmil](/molmil-images/mine/7nkd) | Mycobacterium smegmatis ATP synthase b-delta state 1 | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit b, ATP synthase subunit b-delta, ... | Authors: | Montgomery, M.G, Petri, J, Spikes, T.E, Walker, J.E. | Deposit date: | 2021-02-17 | Release date: | 2021-11-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structure of the ATP synthase from Mycobacterium smegmatis provides targets for treating tuberculosis. Proc.Natl.Acad.Sci.USA, 118, 2021
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6OXW
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![BU of 6oxw by Molmil](/molmil-images/mine/6oxw) | HIV-1 Protease NL4-3 WT in Complex with LR-100 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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7AP6
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![BU of 7ap6 by Molmil](/molmil-images/mine/7ap6) | Structure of SARS-CoV-2 Main Protease bound to MUT056399. | Descriptor: | 3C-like proteinase, 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide | Authors: | Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-10-16 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7NKL
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![BU of 7nkl by Molmil](/molmil-images/mine/7nkl) | Mycobacterium smegmatis ATP synthase b-delta state 2 | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit b, ATP synthase subunit b-delta, ... | Authors: | Montgomery, M.G, Petri, J, Spikes, T.E, Walker, J.E. | Deposit date: | 2021-02-18 | Release date: | 2021-11-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structure of the ATP synthase from Mycobacterium smegmatis provides targets for treating tuberculosis. Proc.Natl.Acad.Sci.USA, 118, 2021
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6OXQ
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![BU of 6oxq by Molmil](/molmil-images/mine/6oxq) | HIV-1 Protease NL4-3 WT in Complex with UMass8 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXV
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![BU of 6oxv by Molmil](/molmil-images/mine/6oxv) | HIV-1 Protease NL4-3 WT in Complex with LR-85 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OYG
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![BU of 6oyg by Molmil](/molmil-images/mine/6oyg) | |
6OXY
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![BU of 6oxy by Molmil](/molmil-images/mine/6oxy) | HIV-1 Protease NL4-3 WT in Complex with LR2-19 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OY8
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![BU of 6oy8 by Molmil](/molmil-images/mine/6oy8) | |
6UWP
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![BU of 6uwp by Molmil](/molmil-images/mine/6uwp) | BACE-1 in complex with compound #32 | Descriptor: | (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Hendle, J, Timm, D.E. | Deposit date: | 2019-11-05 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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6OWR
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![BU of 6owr by Molmil](/molmil-images/mine/6owr) | NMR solution structure of YfiD | Descriptor: | Autonomous glycyl radical cofactor | Authors: | Bowman, S.E.J, Drennan, C.L. | Deposit date: | 2019-05-10 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and biochemical characterization of a spare part protein that restores activity to an oxygen-damaged glycyl radical enzyme. J.Biol.Inorg.Chem., 24, 2019
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7NIS
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![BU of 7nis by Molmil](/molmil-images/mine/7nis) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8192 core | Descriptor: | Nanobody8192 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-13 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (5.96 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NK1
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![BU of 7nk1 by Molmil](/molmil-images/mine/7nk1) | 1918 Influenza virus polymerase heterotirmer in complex with vRNA promoters and Nb8201 | Descriptor: | Nanobody8201, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-17 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.22 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NKI
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![BU of 7nki by Molmil](/molmil-images/mine/7nki) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8209 core | Descriptor: | Nb8209, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-18 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.67 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NKR
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![BU of 7nkr by Molmil](/molmil-images/mine/7nkr) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8210 | Descriptor: | Nb8210, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-18 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NK6
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![BU of 7nk6 by Molmil](/molmil-images/mine/7nk6) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8204 | Descriptor: | Nb8204, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-17 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (6.72 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NJ7
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![BU of 7nj7 by Molmil](/molmil-images/mine/7nj7) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8200 core | Descriptor: | Nb8200 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-16 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.82 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NHA
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![BU of 7nha by Molmil](/molmil-images/mine/7nha) | 1918 H1N1 Viral influenza polymerase heterotrimer - Endonuclease and priming loop ordered (Class2a) | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-10 | Release date: | 2021-12-01 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NKA
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![BU of 7nka by Molmil](/molmil-images/mine/7nka) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8206 | Descriptor: | NB8206, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-17 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.07 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NIK
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![BU of 7nik by Molmil](/molmil-images/mine/7nik) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8189 core | Descriptor: | Nanobody8189 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-12 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NJ5
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![BU of 7nj5 by Molmil](/molmil-images/mine/7nj5) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8199 core | Descriptor: | Nb8199 Core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-16 | Release date: | 2021-12-01 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.63 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NKC
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![BU of 7nkc by Molmil](/molmil-images/mine/7nkc) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8207 | Descriptor: | Nb8207, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-17 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.46 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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6MHB
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![BU of 6mhb by Molmil](/molmil-images/mine/6mhb) | Glutathione S-Transferase Omega 1 bound to covalent inhibitor 18 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-09-17 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors. J. Med. Chem., 62, 2019
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7NIR
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![BU of 7nir by Molmil](/molmil-images/mine/7nir) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8191 core | Descriptor: | Nanobody8191 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-13 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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7NIL
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![BU of 7nil by Molmil](/molmil-images/mine/7nil) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8190 core | Descriptor: | Nanobody8190 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-12 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (5.01 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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