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8J58
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BU of 8j58 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in the apo-form
Descriptor: ATP synthase subunit a, ATP synthase subunit c
Authors:Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
Deposit date:2023-04-21
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8J0S
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BU of 8j0s by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with bedaquiline(BDQ)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
Deposit date:2023-04-11
Release date:2024-05-22
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8JR0
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BU of 8jr0 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with TBAJ-587
Descriptor: (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
Deposit date:2023-06-15
Release date:2024-05-01
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
8JR1
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BU of 8jr1 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with TBAJ-587
Descriptor: (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ATP synthase subunit a, ATP synthase subunit c
Authors:Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
Deposit date:2023-06-15
Release date:2024-05-01
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
3LG8
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BU of 3lg8 by Molmil
Crystal structure of the C-terminal part of subunit E (E101-206) from Methanocaldococcus jannaschii of A1AO ATP synthase
Descriptor: A-type ATP synthase subunit E
Authors:Balakrishna, A.M, Manimekalai, M.S.S, Hunke, C, Gayen, S, Jeyakanthan, J, Gruber, G.
Deposit date:2010-01-19
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering
J.Bioenerg.Biomembr., 42, 2010
3MFY
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BU of 3mfy by Molmil
Structural characterization of the subunit A mutant F236A of the A-ATP synthase from Pyrococcus horikoshii
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
Authors:Balakrishna, A.M, Kumar, A, Manimekali, M.S.S, Jeyakanthan, J, Gruber, G.
Deposit date:2010-04-05
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The critical roles of residues P235 and F236 of subunit A of the motor protein A-ATP synthase in P-loop formation and nucleotide binding.
J.Mol.Biol., 401, 2010
7JG6
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BU of 7jg6 by Molmil
Cryo-EM structure of bedaquiline-free Mycobacterium smegmatis ATP synthase rotational state 2 (backbone model)
Descriptor: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
3M4Y
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BU of 3m4y by Molmil
Structural characterization of the subunit A mutant P235A of the A-ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
Authors:Manimekalai, M.S, Balakrishna, A.M, Kumar, A, Priya, R, Biukovic, G, Jeyakanthan, J, Gruber, G.
Deposit date:2010-03-12
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The critical roles of residues P235 and F236 of subunit A of the motor protein A-ATP synthase in P-loop formation and nucleotide binding.
J.Mol.Biol., 401, 2010
8CZ7
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BU of 8cz7 by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C2
Descriptor: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
Authors:Worrall, L.J, Lee, J, Strynadka, N.C.J.
Deposit date:2022-05-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CYZ
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BU of 8cyz by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C4
Descriptor: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
Authors:Worrall, L.J, Lee, J, Strynadka, N.C.J.
Deposit date:2022-05-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CYU
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BU of 8cyu by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C5
Descriptor: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Lee, J, Strynadka, N.C.J.
Deposit date:2022-05-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ4
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BU of 8cz4 by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C3
Descriptor: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Lee, J, Strynadka, N.C.J.
Deposit date:2022-05-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
7JG7
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BU of 7jg7 by Molmil
Cryo-EM structure of bedaquiline-free Mycobacterium smegmatis ATP synthase rotational state 3 (backbone model)
Descriptor: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7JGB
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BU of 7jgb by Molmil
Cryo-EM structure of bedaquiline-free Mycobacterium smegmatis ATP synthase FO region
Descriptor: ATP synthase subunit a, ATP synthase subunit b, ATP synthase subunit b-delta, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7JG8
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BU of 7jg8 by Molmil
Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase rotational state 1 (backbone model)
Descriptor: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
8IGU
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BU of 8igu by Molmil
Hexameric Ring Complex of Engineered V1-ATPase: A3(De)3_empty
Descriptor: V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2023-02-21
Release date:2023-07-12
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
8IGW
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BU of 8igw by Molmil
Hexameric Ring Complex of Engineered V1-ATPase bound to 4 ADPs: A3(De)3_(ADP)3cat,1non-cat, Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP)3cat,2non-cat
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type sodium ATPase catalytic subunit A, ...
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2023-02-21
Release date:2023-07-12
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
8IGV
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BU of 8igv by Molmil
Hexameric Ring Complex of Engineered V1-ATPase bound to 5 ADPs: A3(De)3_(ADP-Pi)1cat(ADP)2cat,2non-cat
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2023-02-21
Release date:2023-07-12
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
Nat.Chem., 15, 2023
7JGA
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BU of 7jga by Molmil
Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase rotational state 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7JG5
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BU of 7jg5 by Molmil
Cryo-EM structure of bedaquiline-free Mycobacterium smegmatis ATP synthase rotational state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7JGC
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BU of 7jgc by Molmil
Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase FO region
Descriptor: ATP synthase subunit a, ATP synthase subunit b, ATP synthase subunit b-delta, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
7JG9
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BU of 7jg9 by Molmil
Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase rotational state 2 (backbone model)
Descriptor: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
Authors:Guo, H, Courbon, G.M, Rubinstein, J.L.
Deposit date:2020-07-18
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of mycobacterial ATP synthase bound to the tuberculosis drug bedaquiline.
Nature, 589, 2021
2KK7
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BU of 2kk7 by Molmil
NMR solution structure of the N terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii
Descriptor: V-type ATP synthase subunit E
Authors:Gayen, S, Balakrishna, A, Gruber, G.
Deposit date:2009-06-16
Release date:2009-07-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR solution structure of the N-terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii
J.Bioenerg.Biomembr., 41, 2009
6J5I
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BU of 6j5i by Molmil
Cryo-EM structure of the mammalian DP-state ATP synthase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit epsilon, ...
Authors:Gu, J, Zhang, L, Yi, J, Yang, M.
Deposit date:2019-01-11
Release date:2019-06-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
6J54
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BU of 6j54 by Molmil
Cryo-EM structure of the mammalian E-state ATP synthase FO section
Descriptor: ATP synthase membrane subunit 6.8PL, ATP synthase membrane subunit DAPIT, ATP synthase peripheral stalk-membrane subunit b, ...
Authors:Gu, J, Zhang, L, Yi, J, Yang, M.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019

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數據於2025-07-09公開中

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