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5H2F
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BU of 5h2f by Molmil
Crystal structure of the PsbM-deletion mutant of photosystem II
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N.
登録日2016-10-15
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II.
Faraday Discuss., 198, 2017
5GTH
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Native XFEL structure of photosystem II (dark dataset)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2016-08-20
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
6UDV
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X-ray co-crystal structure of compound 3 bound to human Mcl-1
分子名称: (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X, Whittington, D.
登録日2019-09-19
公開日2019-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
8DL4
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S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
分子名称: 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
著者Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2022-07-06
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
To Be Published
5H0U
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Crystal structure of the catalytic domain of membrane type 1 matrix metalloproteinase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Ogata, H, Decaneto, E, Lubitz, W.
登録日2016-10-07
公開日2017-10-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.239 Å)
主引用文献Solvent water interactions within the active site of the membrane type I matrix metalloproteinase.
Phys Chem Chem Phys, 19, 2017
8BEF
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Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI membrane core)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
著者Klusch, N, Kuehlbrandt, W.
登録日2022-10-21
公開日2023-01-11
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.13 Å)
主引用文献Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8E35
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E. coli 50S ribosome bound to compound SAB002
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E43
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E. coli 50S ribosome bound to compound streptogramin A analog 3336
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Streptogramin A analogs
To Be Published
8E33
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E. coli 50S ribosome bound to compound streptogramin analog SAB001
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.23 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
7XXF
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Structure of photosynthetic LH1-RC super-complex of Rhodopila globiformis
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Tani, K, Kanno, R, Kurosawa, K, Takaichi, S, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y.
登録日2022-05-30
公開日2022-11-16
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.24 Å)
主引用文献An LH1-RC photocomplex from an extremophilic phototroph provides insight into origins of two photosynthesis proteins.
Commun Biol, 5, 2022
7RWI
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BU of 7rwi by Molmil
Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198
分子名称: (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Molodtsov, V, Ebright, R.H.
登録日2021-08-19
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
8E30
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E. coli 50S ribosome bound to compound streptogramin A analog 3142
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (1.91 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E36
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E. coli 50S ribosome bound to compound streptogramin A analog 3146
分子名称: 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.38 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
著者Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8ER6
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FKBP12-FRB in Complex with Compound 11
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER7
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FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ELB
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BU of 8elb by Molmil
CTX-M-14 beta-lactamase mutant- N132A
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-09-23
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
7K2X
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Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase
分子名称: Beta-lactamase, GLYCEROL
著者Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
登録日2020-09-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
4PD4
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BU of 4pd4 by Molmil
Structural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, ...
著者Birth, D, Kao, W.-C, Hunte, C.
登録日2014-04-17
公開日2014-06-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action.
Nat Commun, 5, 2014
1V54
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Bovine heart cytochrome c oxidase at the fully oxidized state
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimokata, K, Katayama, Y, Shimada, H, Muramoto, K, Aoyama, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yao, M, Ishimura, Y, Yoshikawa, S.
登録日2003-11-21
公開日2003-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process.
Proc.Natl.Acad.Sci.Usa, 100, 2003
5YQ7
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Cryo-EM structure of the RC-LH core complex from Roseiflexus castenholzii
分子名称: 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, BACTERIOCHLOROPHYLL A, ...
著者Shi, Y, Xin, Y.Y, Niu, T.X, Wang, Q.Q, Niu, W.Q, Huang, X.J, Ding, W, Blankenship, R.E, Xu, X.L, Sun, F.
登録日2017-11-05
公開日2018-05-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structure of the RC-LH core complex from an early branching photosynthetic prokaryote.
Nat Commun, 9, 2018
1V55
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Bovine heart cytochrome c oxidase at the fully reduced state
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimokata, K, Katayama, Y, Shimada, H, Muramoto, K, Aoyama, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yao, M, Ishimura, Y, Yoshikawa, S.
登録日2003-11-21
公開日2003-12-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process.
Proc.Natl.Acad.Sci.Usa, 100, 2003
3M6G
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Crystal structure of actin in complex with lobophorolide
分子名称: (1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Allingham, J.S.
登録日2010-03-15
公開日2010-09-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two molecules of lobophorolide cooperate to stabilize an actin dimer using both their "ring" and "tail" region.
Chem.Biol., 17, 2010
1P84
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HDBT inhibited Yeast Cytochrome bc1 Complex
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Palsdottir, H, Lojero, C.G, Trumpower, B.L, Hunte, C.
登録日2003-05-06
公開日2003-07-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the yeast cytochrome bc1 complex with a hydroxyquinone anion Qo site inhibitor bound
J.Biol.Chem., 278, 2003
7PH7
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Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position T68C
分子名称: (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid, ATP-binding transport protein multicopy suppressor of htrB, ...
著者Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A.
登録日2021-08-16
公開日2022-08-24
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells.
Sci Adv, 8, 2022

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