2HZ8
| QM/MM structure refined from NMR-structure of a single chain diiron protein | Descriptor: | De novo designed diiron protein, ZINC ION | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | Deposit date: | 2006-08-08 | Release date: | 2007-07-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008
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6Z6Y
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3LBW
| High resolution crystal structure of transmembrane domain of M2 | Descriptor: | 4-bromobenzoic acid, DI(HYDROXYETHYL)ETHER, M2 protein, ... | Authors: | Acharya, R, Polishchuk, A.L, DeGrado, W.F. | Deposit date: | 2010-01-08 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus. Proc.Natl.Acad.Sci.USA, 107, 2010
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4QK7
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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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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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4QKL
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3F39
| Apoferritin: complex with phenol | Descriptor: | CADMIUM ION, Ferritin light chain, PHENOL, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F36
| Apoferritin: complex with 2-isopropylphenol | Descriptor: | 2-(1-methylethyl)phenol, CADMIUM ION, Ferritin light chain, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F32
| Horse spleen apoferritin | Descriptor: | CADMIUM ION, Ferritin light chain, SULFATE ION | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F37
| Apoferritin: complex with 2,6-dimethylphenol | Descriptor: | 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F33
| Apoferritin: complex with propofol | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, CADMIUM ION, Ferritin light chain, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F35
| Apoferritin: complex with 2,6-diethylphenol | Descriptor: | 2,6-diethylphenol, CADMIUM ION, Ferritin light chain, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F34
| Apoferritin: complex with 2,6-diethylphenol | Descriptor: | 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3F38
| Apoferritin: complex with 2,6-dimethylphenol | Descriptor: | 2,6-dimethylphenol, CADMIUM ION, Ferritin light chain, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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2LY0
| Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332 | Descriptor: | (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2012-09-10 | Release date: | 2013-01-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus. Proc.Natl.Acad.Sci.USA, 110, 2013
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2MUV
| NOE-based model of the influenza A virus M2 (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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2MUW
| NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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