8BHI
| GABA-A receptor a5 homomer - a5V3 - RO5211223 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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3VBU
| Crystal structure of empty human Enterovirus 71 particle | 分子名称: | Genome Polyprotein, capsid protein VP0, capsid protein VP1, ... | 著者 | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | 登録日 | 2012-01-02 | 公開日 | 2012-02-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71. Nat.Struct.Mol.Biol., 19, 2012
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6ZO8
| Minocycline binding to the deep binding pocket of AcrB-G621P | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6ZO5
| Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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112L
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6ZO9
| Binding of two rifabutins to the access pocket of AcrB-G621P T protomer | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6ZO6
| Minocycline binding to the deep binding pocket of AcrB-G619P | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6ZOB
| 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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110L
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6ZO7
| 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer | 分子名称: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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2R3H
| Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | 分子名称: | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2 | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | 登録日 | 2007-08-29 | 公開日 | 2008-01-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
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8BHO
| GABA-A receptor a5 homomer - a5V3 - L655708 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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6X35
| Pig R615C RyR1 in complex with CaM, EGTA (class 1, open) | 分子名称: | Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine Receptor, ... | 著者 | Woll, K.W, Haji-Ghassemi, O, Van Petegem, F. | 登録日 | 2020-05-21 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Pathological conformations of disease mutant Ryanodine Receptors revealed by cryo-EM. Nat Commun, 12, 2021
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6ZOH
| 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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6ZOG
| Minocycline binding to the deep binding pocket of AcrB-I38F_I671T | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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111L
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8BHQ
| GABA-A receptor a5 homomer - a5V3 - RO7172670 | 分子名称: | 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHS
| GABA-A receptor a5 homomer - a5V3 - RO4938581 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene, Gamma-aminobutyric acid receptor subunit alpha-5 | 著者 | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | 登録日 | 2022-10-31 | 公開日 | 2023-11-01 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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113L
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3VII
| Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with Bis-Tris | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, GLYCEROL, ... | 著者 | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | 登録日 | 2011-10-03 | 公開日 | 2012-07-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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6DVN
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3QCQ
| Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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3VIL
| Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with salicin | 分子名称: | 1,2-ETHANEDIOL, 2-(hydroxymethyl)phenol, 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, ... | 著者 | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | 登録日 | 2011-10-03 | 公開日 | 2012-07-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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6ZOA
| Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ... | 著者 | Tam, H.K, Foong, W.E, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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3VJA
| Crystal structure of the human squalene synthase | 分子名称: | NICKEL (II) ION, Squalene synthase | 著者 | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | 登録日 | 2011-10-14 | 公開日 | 2012-04-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase J.Biol.Chem., 287, 2012
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