2P3J
 
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2NN8
 | | Crystal structure of human galectin-3 carbohydrate-recognition domain with lactose bound, at 1.35 angstrom resolution | | 分子名称: | CHLORIDE ION, GLYCEROL, Galectin-3, ... | | 著者 | Blanchard, H, Collins, P.M. | | 登録日 | 2006-10-24 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Slow diffusion of lactose out of galectin-3 crystals monitored by X-ray crystallography: possible implications for ligand-exchange protocols.
Acta Crystallogr.,Sect.D, 63, 2007
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7ABU
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | 分子名称: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-09-08 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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2Q62
 | | Crystal Structure of ArsH from Sinorhizobium meliloti | | 分子名称: | SULFATE ION, arsH | | 著者 | Ye, J, Yang, H, Bhattacharjee, H, Rosen, B.P. | | 登録日 | 2007-06-04 | | 公開日 | 2007-12-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the flavoprotein ArsH from Sinorhizobium meliloti
FEBS Lett., 581, 2007
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3ZJ6
 | | Crystal of Raucaffricine Glucosidase in complex with inhibitor | | 分子名称: | (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | 著者 | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | | 登録日 | 2013-01-17 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
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4M74
 | | Mutant structure of methyltransferase from Streptomyces hygroscopicus | | 分子名称: | (2R)-2-hydroxy-3-phenylpropanoic acid, (2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid, CALCIUM ION, ... | | 著者 | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | | 登録日 | 2013-08-12 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
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3ZJ8
 | | Crystal structure of strictosidine glucosidase in complex with inhibitor-2 | | 分子名称: | (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE | | 著者 | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | | 登録日 | 2013-01-17 | | 公開日 | 2014-02-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
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7XQ9
 | | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in GDN detergents at pH ~8.0 | | 分子名称: | Gap junction alpha-1 protein | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQB
 | | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs at pH ~8.0 | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQF
 | | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQD
 | | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs (C1 symmetry) | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQG
 | | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (GCN conformation) | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQH
 | | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (GCN-TM1i conformation) | | 分子名称: | C-terminal deletion mutant of gap junction alpha-1 protein (Cx43-M257) | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQJ
 | | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (PLN conformation) | | 分子名称: | Gap junction alpha-1 protein | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQI
 | | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (FIN conformation) | | 分子名称: | Gap junction alpha-1 protein | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2022-05-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7QKB
 | | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | | 分子名称: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QKD
 | | Crystal structure of human Cathepsin L in complex with covalently bound MG132 | | 分子名称: | ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
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7QKA
 | | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QKC
 | | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | | 分子名称: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7F92
 | | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in LMNG/CHS detergents at pH ~8.0 | | 分子名称: | Gap junction alpha-1 protein, TETRADECANE | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2021-07-03 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7F93
 | | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in nanodiscs with soybean lipids at pH ~8.0 | | 分子名称: | Gap junction alpha-1 protein, TETRADECANE | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2021-07-03 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7F94
 | | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel with two conformationally different hemichannels | | 分子名称: | A C-terminal deletion mutant of gap junction alpha-1 protein (Cx43-M257) | | 著者 | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | 登録日 | 2021-07-03 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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1VZZ
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4DX7
 | | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | | 分子名称: | Acriflavine resistance protein B, DARPIN, DECANE, ... | | 著者 | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | | 登録日 | 2012-02-27 | | 公開日 | 2012-05-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | | 主引用文献 | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DX6
 | | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | | 分子名称: | Acriflavine resistance protein B, DARPIN, DODECYL-BETA-D-MALTOSIDE | | 著者 | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | | 登録日 | 2012-02-27 | | 公開日 | 2012-05-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
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