4E01
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![BU of 4e01 by Molmil](/molmil-images/mine/4e01) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/3,6-dichlorobenzo[b]thiophene-2-carboxylic acid complex with AMPPNP | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-03-02 | Release date: | 2013-03-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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6PET
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![BU of 6pet by Molmil](/molmil-images/mine/6pet) | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | Deposit date: | 2019-06-20 | Release date: | 2019-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
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6W0B
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![BU of 6w0b by Molmil](/molmil-images/mine/6w0b) | Open-gate KcsA soaked in 2 mM BaCl2 | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.604 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6W0H
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![BU of 6w0h by Molmil](/molmil-images/mine/6w0h) | Closed-gate KcsA soaked in 5mM KCl/5mM BaCl2 | Descriptor: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6W0G
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![BU of 6w0g by Molmil](/molmil-images/mine/6w0g) | Closed-gate KcsA soaked in 1mM KCl/5mM BaCl2 | Descriptor: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6W0C
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![BU of 6w0c by Molmil](/molmil-images/mine/6w0c) | Open-gate KcsA soaked in 4 mM BaCl2 | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.556 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6W0D
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![BU of 6w0d by Molmil](/molmil-images/mine/6w0d) | Open-gate KcsA soaked in 5 mM BaCl2 | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.639 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6W0J
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![BU of 6w0j by Molmil](/molmil-images/mine/6w0j) | Closed-gate KcsA incubated in BaCl2/NaCl | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Rohaim, A, Gong, L, Li, J. | Deposit date: | 2020-02-29 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel. J.Mol.Biol., 432, 2020
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6PFM
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![BU of 6pfm by Molmil](/molmil-images/mine/6pfm) | Crystal structure of GDC-0927 bound to estrogen receptor alpha | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. | Deposit date: | 2019-06-21 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
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8HUX
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![BU of 8hux by Molmil](/molmil-images/mine/8hux) | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Li, W.W, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUW
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![BU of 8huw by Molmil](/molmil-images/mine/8huw) | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Wang, J, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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4MLO
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![BU of 4mlo by Molmil](/molmil-images/mine/4mlo) | 1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form) | Descriptor: | CHLORIDE ION, PALMITOLEIC ACID, TCP pilus virulence regulatory protein | Authors: | Lovell, S, Wehmeyer, G, Battaile, K.P, Li, J, Egan, S. | Deposit date: | 2013-09-06 | Release date: | 2016-04-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 1.65 angstrom resolution structure of the AraC-family transcriptional activator ToxT from Vibrio cholerae. Acta Crystallogr F Struct Biol Commun, 72, 2016
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2KRG
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![BU of 2krg by Molmil](/molmil-images/mine/2krg) | Solution Structure of human sodium/ hydrogen exchange regulatory factor 1(150-358) | Descriptor: | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Bhattacharya, S, Dai, Z, Li, J, Baxter, S, Callaway, D.J.E, Cowburn, D, Bu, Z. | Deposit date: | 2009-12-17 | Release date: | 2009-12-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation. J.Biol.Chem., 285, 2010
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8HUR
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![BU of 8hur by Molmil](/molmil-images/mine/8hur) | Crystal structure of SARS-Cov-2 main protease in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUS
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![BU of 8hus by Molmil](/molmil-images/mine/8hus) | Crystal structure of SARS main protease in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUV
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![BU of 8huv by Molmil](/molmil-images/mine/8huv) | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUU
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![BU of 8huu by Molmil](/molmil-images/mine/8huu) | Crystal structure of HCoV-NL63 main protease with S217622 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Zeng, X.Y, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8HUT
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![BU of 8hut by Molmil](/molmil-images/mine/8hut) | Crystal structure of MERS main protease in complex with S217622 | Descriptor: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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4WZJ
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![BU of 4wzj by Molmil](/molmil-images/mine/4wzj) | Spliceosomal U4 snRNP core domain | Descriptor: | Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ... | Authors: | Leung, A.K.W, Nagai, K, Li, J. | Deposit date: | 2014-11-19 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of the spliceosomal U4 snRNP core domain and its implication for snRNP biogenesis. Nature, 473, 2011
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6P49
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![BU of 6p49 by Molmil](/molmil-images/mine/6p49) | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl2 | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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5XBM
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![BU of 5xbm by Molmil](/molmil-images/mine/5xbm) | Structure of SCARB2-JL2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome membrane protein 2, ... | Authors: | Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L. | Deposit date: | 2017-03-20 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | The binding of a monoclonal antibody to the apical region of SCARB2 blocks EV71 infection. Protein Cell, 8, 2017
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6P46
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![BU of 6p46 by Molmil](/molmil-images/mine/6p46) | Cryo-EM structure of TMEM16F in digitonin with calcium bound | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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6P47
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![BU of 6p47 by Molmil](/molmil-images/mine/6p47) | Cryo-EM structure of TMEM16F in digitonin without calcium | Descriptor: | Anoctamin-6 | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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6P48
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![BU of 6p48 by Molmil](/molmil-images/mine/6p48) | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl1 | Descriptor: | Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | Deposit date: | 2019-05-26 | Release date: | 2019-07-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling. Cell Rep, 28, 2019
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8H91
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![BU of 8h91 by Molmil](/molmil-images/mine/8h91) | |