7NFV
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![BU of 7nfv by Molmil](/molmil-images/mine/7nfv) | Structure of SARS-CoV-2 Papain-like protease PLpro | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C. | Deposit date: | 2021-02-07 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7P5U
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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5E3J
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![BU of 5e3j by Molmil](/molmil-images/mine/5e3j) | The response regulator RstA is a potential drug target for Acinetobacter baumannii | Descriptor: | Response regulator RstA | Authors: | Russo, T.A, Manohar, A, Beanan, J.M, Olson, R, MacDonald, U, Graham, J, Umland, T.C. | Deposit date: | 2015-10-02 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii. Msphere, 1, 2016
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5IJR
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![BU of 5ijr by Molmil](/molmil-images/mine/5ijr) | X-ray structure of neuropilin-1 b1 domain complexed with Arg-1 ligand. | Descriptor: | DIMETHYL SULFOXIDE, L-HOMOARGININE, Neuropilin-1 | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-03-02 | Release date: | 2017-03-29 | Last modified: | 2018-07-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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6SL6
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![BU of 6sl6 by Molmil](/molmil-images/mine/6sl6) | p53 charged core | Descriptor: | Cellular tumor antigen p53, GLYCEROL, ZINC ION | Authors: | Gallardo, R, Langenberg, T, Schymkowitz, J, Rousseau, F, Ulens, C. | Deposit date: | 2019-08-18 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Thermodynamic and Evolutionary Coupling between the Native and Amyloid State of Globular Proteins. Cell Rep, 31, 2020
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6TDB
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![BU of 6tdb by Molmil](/molmil-images/mine/6tdb) | Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ... | Authors: | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | Deposit date: | 2019-11-08 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide To Be Published
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5JHK
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![BU of 5jhk by Molmil](/molmil-images/mine/5jhk) | X-ray structure of neuropilin-1 b1 domain complexed with Arg-6 ligand. | Descriptor: | N-(benzenecarbonyl)glycyl-L-arginine, Neuropilin-1 | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-04-21 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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6TM2
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![BU of 6tm2 by Molmil](/molmil-images/mine/6tm2) | Human MUC2 AAs 21-1397 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D. | Deposit date: | 2019-12-03 | Release date: | 2020-10-21 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Assembly Mechanism of Mucin and von Willebrand Factor Polymers. Cell, 183, 2020
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7A5O
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![BU of 7a5o by Molmil](/molmil-images/mine/7a5o) | Human MUC2 AAs 21-1397 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D. | Deposit date: | 2020-08-21 | Release date: | 2020-10-21 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Assembly Mechanism of Mucin and von Willebrand Factor Polymers. Cell, 183, 2020
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5J1X
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![BU of 5j1x by Molmil](/molmil-images/mine/5j1x) | X-ray structure of neuropilin-1 b1 domain complexed with Arg-5 ligand. | Descriptor: | DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(tert-butoxycarbonyl)-L-arginine | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-03-29 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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5JGI
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![BU of 5jgi by Molmil](/molmil-images/mine/5jgi) | X-ray structure of neuropilin-1 b1 domain complexed with M45 compound | Descriptor: | N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1 | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-04-20 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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5JGQ
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![BU of 5jgq by Molmil](/molmil-images/mine/5jgq) | X-ray structure of neuropilin-1 b1 domain complexed with Arg-7 ligand. | Descriptor: | DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(benzenecarbonyl)-L-arginine | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-04-20 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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5IYY
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![BU of 5iyy by Molmil](/molmil-images/mine/5iyy) | X-ray structure of neuropilin-1 b1 domain complexed with Arg-4 ligand. | Descriptor: | Neuropilin-1, N~2~-[(benzyloxy)carbonyl]-L-arginine | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-03-24 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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8VDE
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5JJN
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![BU of 5jjn by Molmil](/molmil-images/mine/5jjn) | Structure of the SRII/HtrII(G83F) Complex in P212121 space group ("V" shape) | Descriptor: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | Authors: | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | Deposit date: | 2016-04-24 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
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8TA5
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![BU of 8ta5 by Molmil](/molmil-images/mine/8ta5) | Title: Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with asymmetric C-terminal | Descriptor: | Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TA4
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![BU of 8ta4 by Molmil](/molmil-images/mine/8ta4) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with symmetric C-terminal | Descriptor: | CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TA2
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![BU of 8ta2 by Molmil](/molmil-images/mine/8ta2) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with bound inhibitor AK-42 | Descriptor: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TA3
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![BU of 8ta3 by Molmil](/molmil-images/mine/8ta3) | Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain Apo state with resolved N-terminal hairpin | Descriptor: | CHLORIDE ION, Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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8TA6
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![BU of 8ta6 by Molmil](/molmil-images/mine/8ta6) | Cryo-EM structure of the human CLC-2 chloride channel C-terminal domain | Descriptor: | Chloride channel protein 2 | Authors: | Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M. | Deposit date: | 2023-06-26 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism. Elife, 12, 2024
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5LN1
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![BU of 5ln1 by Molmil](/molmil-images/mine/5ln1) | STRUCTURE OF UBIQUITYLATED-RPN10 FROM YEAST; | Descriptor: | 26S proteasome regulatory subunit RPN10, Polyubiquitin-B | Authors: | Keren-Kaplan, T, Attali, I, Levin-Kravets, O, Prag, G. | Deposit date: | 2016-08-02 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structure of ubiquitylated-Rpn10 provides insight into its autoregulation mechanism. Nat Commun, 7, 2016
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2J14
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![BU of 2j14 by Molmil](/molmil-images/mine/2j14) | 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | Descriptor: | (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | Authors: | Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S. | Deposit date: | 2006-08-08 | Release date: | 2006-09-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2 Bioorg.Med.Chem.Lett., 16, 2006
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