7P7B
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![BU of 7p7b by Molmil](/molmil-images/mine/7p7b) | SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation | 分子名称: | Spike glycoprotein | 著者 | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | 登録日 | 2021-07-19 | 公開日 | 2021-08-04 | 最終更新日 | 2022-04-20 | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | 主引用文献 | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance. Embo Rep., 23, 2022
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1A1R
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![BU of 1a1r by Molmil](/molmil-images/mine/1a1r) | HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX | 分子名称: | NS3 PROTEIN, NS4A PROTEIN, ZINC ION | 著者 | Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A. | 登録日 | 1997-12-15 | 公開日 | 1998-06-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide. Cell(Cambridge,Mass.), 87, 1996
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6WL7
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![BU of 6wl7 by Molmil](/molmil-images/mine/6wl7) | Cryo-EM of Form 2 like peptide filament, 29-20-2 | 分子名称: | peptide 29-20-2 | 著者 | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | 登録日 | 2020-04-18 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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6WL1
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![BU of 6wl1 by Molmil](/molmil-images/mine/6wl1) | Cryo-EM of Form 1 related peptide filament, 36-31-3 | 分子名称: | peptide 36-31-3 | 著者 | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | 登録日 | 2020-04-17 | 公開日 | 2020-12-02 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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6XIW
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![BU of 6xiw by Molmil](/molmil-images/mine/6xiw) | Cryo-EM structure of the sodium leak channel NALCN-FAM155A complex | 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-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kschonsak, M, Chua, H.C, Noland, C.L, Weidling, C, Clairfeuille, T, Bahlke, O.O, Ameen, A.O, Li, Z.R, Arthur, C.P, Ciferri, C, Pless, S.A, Payandeh, J. | 登録日 | 2020-06-22 | 公開日 | 2020-07-29 | 最終更新日 | 2020-11-25 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structure of the human sodium leak channel NALCN. Nature, 587, 2020
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1A1V
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![BU of 1a1v by Molmil](/molmil-images/mine/1a1v) | HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA | 分子名称: | DNA (5'-D(*UP*UP*UP*UP*UP*UP*UP*U)-3'), PROTEIN (NS3 PROTEIN), SULFATE ION | 著者 | Kim, J.L, Morgenstern, K.A, Griffith, J.P, Dwyer, M.D, Thomson, J.A, Murcko, M.A, Lin, C, Caron, P.R. | 登録日 | 1997-12-17 | 公開日 | 1999-01-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding. Structure, 6, 1998
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6FSE
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![BU of 6fse by Molmil](/molmil-images/mine/6fse) | Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15) | 分子名称: | 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... | 著者 | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | 登録日 | 2018-02-19 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
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6FSD
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![BU of 6fsd by Molmil](/molmil-images/mine/6fsd) | Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... | 著者 | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | 登録日 | 2018-02-19 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
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6WQ4
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![BU of 6wq4 by Molmil](/molmil-images/mine/6wq4) | Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ5
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![BU of 6wq5 by Molmil](/molmil-images/mine/6wq5) | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.304 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ9
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![BU of 6wq9 by Molmil](/molmil-images/mine/6wq9) | Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.305 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ8
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![BU of 6wq8 by Molmil](/molmil-images/mine/6wq8) | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.405 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ7
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![BU of 6wq7 by Molmil](/molmil-images/mine/6wq7) | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.304 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6GCT
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![BU of 6gct by Molmil](/molmil-images/mine/6gct) | cryo-EM structure of the human neutral amino acid transporter ASCT2 | 分子名称: | GLUTAMINE, Neutral amino acid transporter B(0) | 著者 | Garaeva, A.A, Oostergetel, G.T, Gati, C, Guskov, A, Paulino, C, Slotboom, D.J. | 登録日 | 2018-04-19 | 公開日 | 2018-06-13 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.85 Å) | 主引用文献 | Cryo-EM structure of the human neutral amino acid transporter ASCT2. Nat. Struct. Mol. Biol., 25, 2018
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4Y0Y
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![BU of 4y0y by Molmil](/molmil-images/mine/4y0y) | Trypsin in complex with with BPTI | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | 登録日 | 2015-02-06 | 公開日 | 2015-06-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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4Y0Z
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![BU of 4y0z by Molmil](/molmil-images/mine/4y0z) | Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | 登録日 | 2015-02-06 | 公開日 | 2015-06-24 | 最終更新日 | 2018-04-18 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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6HRA
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![BU of 6hra by Molmil](/molmil-images/mine/6hra) | Cryo-EM structure of the KdpFABC complex in an E1 outward-facing state (state 1) | 分子名称: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | 著者 | Stock, C, Hielkema, L, Tascon, I, Wunnicke, D, Oostergetel, G.T, Azkargorta, M, Paulino, C, Haenelt, I. | 登録日 | 2018-09-26 | 公開日 | 2018-12-05 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structures of KdpFABC suggest a K+transport mechanism via two inter-subunit half-channels. Nat Commun, 9, 2018
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4Y10
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![BU of 4y10 by Molmil](/molmil-images/mine/4y10) | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | 登録日 | 2015-02-06 | 公開日 | 2015-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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4Y11
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![BU of 4y11 by Molmil](/molmil-images/mine/4y11) | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | 登録日 | 2015-02-06 | 公開日 | 2015-06-24 | 最終更新日 | 2018-04-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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6HRB
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![BU of 6hrb by Molmil](/molmil-images/mine/6hrb) | Cryo-EM structure of the KdpFABC complex in an E2 inward-facing state (state 2) | 分子名称: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | 著者 | Stock, C, Hielkema, L, Tascon, I, Wunnicke, D, Oostergetel, G.T, Azkargorta, M, Paulino, C, Haenelt, I. | 登録日 | 2018-09-26 | 公開日 | 2018-12-05 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Cryo-EM structures of KdpFABC suggest a K+transport mechanism via two inter-subunit half-channels. Nat Commun, 9, 2018
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7AHD
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![BU of 7ahd by Molmil](/molmil-images/mine/7ahd) | OpuA (E190Q) occluded | 分子名称: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | 登録日 | 2020-09-24 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA. Sci Adv, 6, 2020
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7AHH
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![BU of 7ahh by Molmil](/molmil-images/mine/7ahh) | OpuA inhibited inward-facing, SBD docked | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ... | 著者 | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | 登録日 | 2020-09-24 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA. Sci Adv, 6, 2020
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7AHE
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![BU of 7ahe by Molmil](/molmil-images/mine/7ahe) | OpuA inhibited inward facing | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component | 著者 | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | 登録日 | 2020-09-24 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA. Sci Adv, 6, 2020
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7AHC
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![BU of 7ahc by Molmil](/molmil-images/mine/7ahc) | OpuA apo inward-facing | 分子名称: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component | 著者 | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | 登録日 | 2020-09-24 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA. Sci Adv, 6, 2020
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7B5E
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![BU of 7b5e by Molmil](/molmil-images/mine/7b5e) | Structure of calcium-bound mTMEM16A(ac)-I551A chloride channel at 4.1 A resolution | 分子名称: | Anoctamin-1, CALCIUM ION | 著者 | Lam, A.K.M, Rheinberger, J, Paulino, C, Dutzler, R. | 登録日 | 2020-12-03 | 公開日 | 2021-02-10 | 最終更新日 | 2021-02-17 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Gating the pore of the calcium-activated chloride channel TMEM16A. Nat Commun, 12, 2021
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