1KLQ
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![BU of 1klq by Molmil](/molmil-images/mine/1klq) | The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20 | Descriptor: | MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A, Mad2-binding peptide | Authors: | Luo, X, Tang, Z, Rizo, J, Yu, H. | Deposit date: | 2001-12-12 | Release date: | 2002-01-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The Mad2 spindle checkpoint protein undergoes similar major conformational changes upon binding to either Mad1 or Cdc20. Mol.Cell, 9, 2002
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1KI1
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![BU of 1ki1 by Molmil](/molmil-images/mine/1ki1) | Guanine Nucleotide Exchange Region of Intersectin in Complex with Cdc42 | Descriptor: | G25K GTP-binding protein, placental isoform, SULFATE ION, ... | Authors: | Snyder, J.T, Pruitt, W.M, Der, C.J, Sondek, J. | Deposit date: | 2001-12-02 | Release date: | 2002-05-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the selective activation of Rho GTPases by Dbl exchange factors. Nat.Struct.Biol., 9, 2002
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1KMO
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![BU of 1kmo by Molmil](/molmil-images/mine/1kmo) | Crystal structure of the Outer Membrane Transporter FecA | Descriptor: | HEPTANE-1,2,3-TRIOL, Iron(III) dicitrate transport protein fecA, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J. | Deposit date: | 2001-12-17 | Release date: | 2002-03-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of gating by the outer membrane transporter FecA. Science, 295, 2002
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1KLP
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![BU of 1klp by Molmil](/molmil-images/mine/1klp) | The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis | Descriptor: | MEROMYCOLATE EXTENSION ACYL CARRIER PROTEIN | Authors: | Wong, H.C, Liu, G, Zhang, Y.-M, Rock, C.O, Zheng, J. | Deposit date: | 2001-12-12 | Release date: | 2002-06-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The solution structure of acyl carrier protein from Mycobacterium tuberculosis. J.Biol.Chem., 277, 2002
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1KMP
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![BU of 1kmp by Molmil](/molmil-images/mine/1kmp) | Crystal structure of the Outer Membrane Transporter FecA Complexed with Ferric Citrate | Descriptor: | CITRIC ACID, FE (III) ION, IRON(III) DICITRATE TRANSPORT PROTEIN FECA, ... | Authors: | Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J. | Deposit date: | 2001-12-17 | Release date: | 2002-03-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of gating by the outer membrane transporter FecA. Science, 295, 2002
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1KT2
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![BU of 1kt2 by Molmil](/molmil-images/mine/1kt2) | CRYSTAL STRUCTURE OF CLASS II MHC MOLECULE IEK BOUND TO MOTH CYTOCHROME C PEPTIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion protein consisting of cytochrome C peptide, ... | Authors: | Fremont, D.H, Dai, S, Chiang, H, Crawford, F, Marrack, P, Kappler, J. | Deposit date: | 2002-01-15 | Release date: | 2002-05-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of cytochrome c presentation by IE(k). J.Exp.Med., 195, 2002
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1KMT
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![BU of 1kmt by Molmil](/molmil-images/mine/1kmt) | Crystal structure of RhoGDI Glu(154,155)Ala mutant | Descriptor: | Rho GDP-dissociation inhibitor 1 | Authors: | Mateja, A, Devedjiev, Y, Krowarsh, D, Longenecker, K, Dauter, Z, Otlewski, J, Derewenda, Z.S. | Deposit date: | 2001-12-17 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The impact of Glu-->Ala and Glu-->Asp mutations on the crystallization properties of RhoGDI: the structure of RhoGDI at 1.3 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, 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, 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, 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. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6YVF
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![BU of 6yvf by Molmil](/molmil-images/mine/6yvf) | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | Authors: | Guenther, S, Reinke, P, 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, 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, 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. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4D11
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![BU of 4d11 by Molmil](/molmil-images/mine/4d11) | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | Descriptor: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2. Angew.Chem.Int.Ed.Engl., 53, 2014
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9B6H
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![BU of 9b6h by Molmil](/molmil-images/mine/9b6h) | Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist TC-I 2014 and the cooling agonist C3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y. | Deposit date: | 2024-03-25 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8. Sci Adv, 10, 2024
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4D7G
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![BU of 4d7g by Molmil](/molmil-images/mine/4d7g) | Human FXIa in complex with small molecule inhibitors. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ... | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | Deposit date: | 2014-11-24 | Release date: | 2016-01-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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6CGB
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![BU of 6cgb by Molmil](/molmil-images/mine/6cgb) | chimera of mouse cadherin-11 EC1 and mouse cadherin-6 EC2 | Descriptor: | ACETATE ION, CALCIUM ION, Cadherin-11, ... | Authors: | Brasch, J, Harrison, O.J, Shapiro, L, Kaeser, B. | Deposit date: | 2018-02-19 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep, 23, 2018
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4D9U
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![BU of 4d9u by Molmil](/molmil-images/mine/4d9u) | Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | Deposit date: | 2012-01-12 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Nat.Chem.Biol., 8, 2012
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8ZFT
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![BU of 8zft by Molmil](/molmil-images/mine/8zft) | |
6CI2
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![BU of 6ci2 by Molmil](/molmil-images/mine/6ci2) | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, formyltransferase PseJ | Authors: | Reimer, J.M, Jiang, J, Harb, I, Schmeing, T.M. | Deposit date: | 2018-02-23 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain. ACS Chem. Biol., 13, 2018
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4CRF
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![BU of 4crf by Molmil](/molmil-images/mine/4crf) | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | Descriptor: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | Deposit date: | 2014-02-26 | Release date: | 2015-02-11 | Last modified: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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9B6E
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![BU of 9b6e by Molmil](/molmil-images/mine/9b6e) | Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist TC-I 2014 | Descriptor: | 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8 | Authors: | Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y. | Deposit date: | 2024-03-25 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8. Sci Adv, 10, 2024
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9FYP
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![BU of 9fyp by Molmil](/molmil-images/mine/9fyp) | Cryo EM structure of the type 3B polymorph of alpha-synuclein at low pH. | Descriptor: | Alpha-synuclein, CHLORIDE ION | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | Deposit date: | 2024-07-03 | Release date: | 2024-07-17 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation. Elife, 12, 2024
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6CPO
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![BU of 6cpo by Molmil](/molmil-images/mine/6cpo) | Crystal structure of DR15 presenting the RQ13 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Farenc, C, Gras, S, Rossjohn, J. | Deposit date: | 2018-03-13 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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4CHB
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![BU of 4chb by Molmil](/molmil-images/mine/4chb) | Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide | Descriptor: | 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, KELCH-LIKE PROTEIN 2, ... | Authors: | Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Cooper, C.D.O, Canning, P, Kopec, J, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-11-29 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation. Biochem.J., 460, 2014
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6CL7
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![BU of 6cl7 by Molmil](/molmil-images/mine/6cl7) | 1.71 A MicroED structure of proteinase K at 0.86 e- / A^2 | Descriptor: | Proteinase K | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | ELECTRON CRYSTALLOGRAPHY (1.71 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLE
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![BU of 6cle by Molmil](/molmil-images/mine/6cle) | 1.01 A MicroED structure of GSNQNNF at 1.3 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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8ZFO
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6CLM
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![BU of 6clm by Molmil](/molmil-images/mine/6clm) | 1.01 A MicroED structure of GSNQNNF at 1.5 e- / A^2 | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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