2NMN
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2NMO
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, 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, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, 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, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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1EKX
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![BU of 1ekx by Molmil](/molmil-images/mine/1ekx) | THE ISOLATED, UNREGULATED CATALYTIC TRIMER OF ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH BISUBSTRATE ANALOG PALA (N-(PHOSPHONACETYL)-L-ASPARTATE) | Descriptor: | ASPARTATE TRANSCARBAMOYLASE, CALCIUM ION, N-(PHOSPHONACETYL)-L-ASPARTIC ACID | Authors: | Endrizzi, J.A, Beernink, P.T, Alber, T, Schachman, H.K. | Deposit date: | 2000-03-09 | Release date: | 2000-05-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding of bisubstrate analog promotes large structural changes in the unregulated catalytic trimer of aspartate transcarbamoylase: implications for allosteric regulation induced cell migration. Proc.Natl.Acad.Sci.USA, 97, 2000
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4PBU
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![BU of 4pbu by Molmil](/molmil-images/mine/4pbu) | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-04-13 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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4WCZ
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![BU of 4wcz by Molmil](/molmil-images/mine/4wcz) | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans | Descriptor: | Enoyl-CoA hydratase/isomerase | Authors: | Tkaczuk, K.L, Cooper, D.R, Chapman, H.C, Niedzialkowska, E, Cymborowski, M.T, Hillerich, B.S, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-05 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans to be published
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4ZWJ
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![BU of 4zwj by Molmil](/molmil-images/mine/4zwj) | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser | Descriptor: | Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin | Authors: | Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2015-05-19 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser. Nature, 523, 2015
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1N1L
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![BU of 1n1l by Molmil](/molmil-images/mine/1n1l) | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) | Descriptor: | HCV NS3 SERINE PROTEASE, NS4A COFACTOR, ZINC ION, ... | Authors: | Andrews, D.M, Chaignot, H, Coomber, B.A, Good, A.C, Hind, S.L, Jones, P.S, Mill, G, Robinson, J.E, Skarzynski, T, Slater, M.J, Somers, D.O.N. | Deposit date: | 2002-10-18 | Release date: | 2003-10-21 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents Org.Lett., 4, 2002
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3VST
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![BU of 3vst by Molmil](/molmil-images/mine/3vst) | The complex structure of XylC with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase | Authors: | Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T. | Deposit date: | 2012-05-09 | Release date: | 2013-02-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Biochem.J., 448, 2012
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1MSI
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3W02
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![BU of 3w02 by Molmil](/molmil-images/mine/3w02) | Crystal structure of PcrB complexed with SO4 from Staphylococcus aureus subsp. aureus Mu3 | Descriptor: | Heptaprenylglyceryl phosphate synthase, SULFATE ION | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
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3VSU
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![BU of 3vsu by Molmil](/molmil-images/mine/3vsu) | The complex structure of XylC with xylobiose | Descriptor: | Xylosidase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T. | Deposit date: | 2012-05-09 | Release date: | 2013-02-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Biochem.J., 448, 2012
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3VZZ
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![BU of 3vzz by Molmil](/molmil-images/mine/3vzz) | Crystal structure of PcrB complexed with FsPP from bacillus subtilis subap. subtilis str. 168 | Descriptor: | CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ... | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
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3W01
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![BU of 3w01 by Molmil](/molmil-images/mine/3w01) | Crystal structure of PcrB complexed with PEG from Staphylococcus aureus subsp. aureus Mu3 | Descriptor: | Heptaprenylglyceryl phosphate synthase, TRIETHYLENE GLYCOL | Authors: | Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T. | Deposit date: | 2012-10-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus Chembiochem, 14, 2013
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2RMK
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![BU of 2rmk by Molmil](/molmil-images/mine/2rmk) | Rac1/PRK1 Complex | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1, ... | Authors: | Modha, R, Campbell, L.J, Nietlispach, D, Buhecha, H.R, Owen, D, Mott, H.R. | Deposit date: | 2007-10-25 | Release date: | 2007-11-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The Rac1 Polybasic Region Is Required for Interaction with Its Effector PRK1 J.Biol.Chem., 283, 2008
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7Z3U
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![BU of 7z3u by Molmil](/molmil-images/mine/7z3u) | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | Authors: | 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. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | Authors: | 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. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | 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. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z2K
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![BU of 7z2k by Molmil](/molmil-images/mine/7z2k) | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2022-02-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections To Be Published
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7F92
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![BU of 7f92 by Molmil](/molmil-images/mine/7f92) | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in LMNG/CHS detergents at pH ~8.0 | Descriptor: | Gap junction alpha-1 protein, TETRADECANE | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2021-07-03 | Release date: | 2022-07-06 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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7F93
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![BU of 7f93 by Molmil](/molmil-images/mine/7f93) | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in nanodiscs with soybean lipids at pH ~8.0 | Descriptor: | Gap junction alpha-1 protein, TETRADECANE | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2021-07-03 | Release date: | 2022-07-06 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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7F94
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![BU of 7f94 by Molmil](/molmil-images/mine/7f94) | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel with two conformationally different hemichannels | Descriptor: | A C-terminal deletion mutant of gap junction alpha-1 protein (Cx43-M257) | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2021-07-03 | Release date: | 2022-07-06 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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7XQB
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![BU of 7xqb by Molmil](/molmil-images/mine/7xqb) | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs at pH ~8.0 | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2022-05-07 | Release date: | 2023-02-01 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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7XQF
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![BU of 7xqf by Molmil](/molmil-images/mine/7xqf) | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2022-05-07 | Release date: | 2023-02-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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7XQD
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![BU of 7xqd by Molmil](/molmil-images/mine/7xqd) | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs (C1 symmetry) | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2022-05-07 | Release date: | 2023-02-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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