4QKC
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![BU of 4qkc by Molmil](/molmil-images/mine/4qkc) | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under cryo diffraction conditions | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2014-06-05 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QKL
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4P6J
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4P6K
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4QKM
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![BU of 4qkm by Molmil](/molmil-images/mine/4qkm) | Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2014-06-06 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
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6MCT
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6MJH
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6MPW
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5UGK
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![BU of 5ugk by Molmil](/molmil-images/mine/5ugk) | Zinc-Binding Structure of a Catalytic Amyloid from Solid-State NMR Spectroscopy | Descriptor: | ILE-HIS-VAL-HIS-LEU-GLN-ILE, ZINC ION | Authors: | Lee, M, Wang, T, Makhlynets, O.V, Wu, Y, Polizzi, N, Wu, H, Gosavi, P.M, Korendovych, I.V, DeGrado, W.F, Hong, M. | Deposit date: | 2017-01-09 | Release date: | 2017-05-31 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Zinc-binding structure of a catalytic amyloid from solid-state NMR. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6NV1
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![BU of 6nv1 by Molmil](/molmil-images/mine/6nv1) | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ... | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | Deposit date: | 2019-02-04 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance. Biochemistry, 59, 2020
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5TTC
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![BU of 5ttc by Molmil](/molmil-images/mine/5ttc) | XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | Deposit date: | 2016-11-02 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6MQU
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6MQ2
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6O3N
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5V2O
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![BU of 5v2o by Molmil](/molmil-images/mine/5v2o) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-06 | Release date: | 2017-10-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V2Q
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![BU of 5v2q by Molmil](/molmil-images/mine/5v2q) | CaV beta2a subunit: CaV1.2 AID-CEN complex | Descriptor: | 1,3-bis(bromomethyl)benzene, CHLORIDE ION, Voltage-dependent L-type calcium channel subunit alpha-1C, ... | Authors: | Findeisen, F, Campiglio, M, Jo, H, Rumpf, C.H, Pope, L, Flucher, B, Degrado, W.F, Minor, D.L. | Deposit date: | 2017-03-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stapled Voltage-Gated Calcium Channel (CaV) alpha-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function. ACS Chem Neurosci, 8, 2017
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5UM1
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![BU of 5um1 by Molmil](/molmil-images/mine/5um1) | XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F. | Deposit date: | 2017-01-25 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V2P
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![BU of 5v2p by Molmil](/molmil-images/mine/5v2p) | CaV beta2a subunit: CaV1.2 AID-CAP complex | Descriptor: | 1,3-bis(bromomethyl)benzene, NICKEL (II) ION, PENTAETHYLENE GLYCOL, ... | Authors: | Findeisen, F, Campiglio, M, Jo, H, Rumpf, C.H, Pope, L, Flucher, B, Degrado, W.F, Minor, D.L. | Deposit date: | 2017-03-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stapled Voltage-Gated Calcium Channel (CaV) alpha-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function. ACS Chem Neurosci, 8, 2017
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5V2G
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![BU of 5v2g by Molmil](/molmil-images/mine/5v2g) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-03 | Release date: | 2017-09-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6B17
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![BU of 6b17 by Molmil](/molmil-images/mine/6b17) | Design of a short thermally stable alpha-helix embedded in a macrocycle | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | Deposit date: | 2017-09-17 | Release date: | 2018-02-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle. Chembiochem, 19, 2018
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6ANF
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![BU of 6anf by Molmil](/molmil-images/mine/6anf) | Design of a short thermo-stable alpha-helix embedded in a macrocycle | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | Deposit date: | 2017-08-13 | Release date: | 2018-02-21 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle. Chembiochem, 19, 2018
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6BOC
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![BU of 6boc by Molmil](/molmil-images/mine/6boc) | Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-19 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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6BMZ
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![BU of 6bmz by Molmil](/molmil-images/mine/6bmz) | Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-15 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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6BKL
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![BU of 6bkl by Molmil](/molmil-images/mine/6bkl) | Influenza A M2 transmembrane domain bound to rimantadine | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-08 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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6BKK
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![BU of 6bkk by Molmil](/molmil-images/mine/6bkk) | Influenza A M2 transmembrane domain bound to amantadine | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, CHLORIDE ION, Matrix protein 2 | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-08 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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