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5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2016-05-02
公開日2017-08-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献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
5C02
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BU of 5c02 by Molmil
Influenza A M2 transmembrane domain drug-resistant S31N mutant at pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHLORIDE ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2015-06-12
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Crystal structure of the drug-resistant S31N influenza M2 proton channel.
Protein Sci., 25, 2016
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
分子名称: CHLORIDE ION, Matrix protein 2, RIMANTADINE
著者Thomaston, J.L, DeGrado, W.F.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6US8
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BU of 6us8 by Molmil
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, DeGrado, W.F.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
分子名称: (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, ...
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-02-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-05-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献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
4QK7
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BU of 4qk7 by Molmil
Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under cryo diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L.
登録日2014-06-05
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
4QKC
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BU of 4qkc by Molmil
Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under cryo diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-05
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
6MJH
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BU of 6mjh by Molmil
The S31N mutant of the influenza A M2 proton channel in two distinct conformational states
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, DeGrado, W.F.
登録日2018-09-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.
J.Am.Chem.Soc., 141, 2019
4QKM
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BU of 4qkm by Molmil
Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-06
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
4QKL
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BU of 4qkl by Molmil
Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under room temperature diffraction conditions
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-06
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献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
6BKL
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BU of 6bkl by Molmil
Influenza A M2 transmembrane domain bound to rimantadine
分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE
著者Thomaston, J.L, DeGrado, W.F.
登録日2017-11-08
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
6BOC
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BU of 6boc by Molmil
Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation
分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2017-11-19
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
6BKK
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BU of 6bkk by Molmil
Influenza A M2 transmembrane domain bound to amantadine
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, DeGrado, W.F.
登録日2017-11-08
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
6BMZ
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BU of 6bmz by Molmil
Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor
分子名称: (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
著者Thomaston, J.L, DeGrado, W.F.
登録日2017-11-15
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2016-11-02
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
5UM1
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BU of 5um1 by Molmil
XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2017-01-25
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献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
6MQU
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BU of 6mqu by Molmil
PL5, synthetic transmembrane domain variant of human phospholamban
分子名称: PL5, designed TM pentamer
著者Mravic, M, Thomaston, J.L, DeGrado, W.F.
登録日2018-10-10
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
7UDW
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BU of 7udw by Molmil
Designed pentameric proton channel QQLL
分子名称: De novo designed pentameric proton channel QQLL
著者Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
分子名称: De novo designed proton channel LLQL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDZ
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BU of 7udz by Molmil
Designed pentameric proton channel LQLL
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL
著者Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDY
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BU of 7udy by Molmil
Designed pentameric channel QLLL
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDX
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BU of 7udx by Molmil
Designed pentameric proton channel QLQL
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
6MQ2
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BU of 6mq2 by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
著者Mravic, M, Liu, L, Degrado, W.F.
登録日2018-10-09
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MCT
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BU of 6mct by Molmil
A designed pentameric membrane protein stabilized by van der Waals interaction
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, mini-eVgL membrane protein
著者Mravic, M, Liu, L, Degrado, W.F.
登録日2018-09-02
公開日2019-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019

 

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