7VB5
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![BU of 7vb5 by Molmil](/molmil-images/mine/7vb5) | Crystal structure of hydroxynitrile lyase from Linum usitatissimum complexed with acetone cyanohydrin | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXY-2-METHYLPROPANENITRILE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Zheng, D, Nakabayashi, M, Asano, Y. | Deposit date: | 2021-08-30 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex. J.Biol.Chem., 298, 2022
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7PQZ
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![BU of 7pqz by Molmil](/molmil-images/mine/7pqz) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FD-11A Fab heavy chain, FD-11A Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-09-20 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2. Theranostics, 12, 2022
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7VBA
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![BU of 7vba by Molmil](/molmil-images/mine/7vba) | Structure of the pre state human RNA Polymerase I Elongation Complex | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(P*A*CP*TP*GP*TP*CP*CP*TP*CP*TP*GP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*AP*GP*AP*GP*AP*CP*AP*GP*CP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), ... | Authors: | Zhao, D, Liu, W, Chen, K, Yang, H, Xu, Y. | Deposit date: | 2021-08-31 | Release date: | 2022-02-16 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure of the human RNA polymerase I elongation complex. Cell Discov, 7, 2021
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7VW5
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5OVE
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![BU of 5ove by Molmil](/molmil-images/mine/5ove) | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 1 | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine, Son of sevenless homolog 1 | Authors: | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | Deposit date: | 2017-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7VB4
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7VBC
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![BU of 7vbc by Molmil](/molmil-images/mine/7vbc) | Back track state of human RNA Polymerase I Elongation Complex | Descriptor: | DNA (5'-D(*GP*TP*AP*CP*TP*GP*TP*CP*CP*TP*CP*TP*GP*G)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*AP*GP*CP*GP*TP*GP*TP*CP*AP*GP*CP*AP*AP*TP*A)-3'), DNA-directed RNA polymerase I subunit RPA1, ... | Authors: | Zhao, D, Liu, W, Chen, K, Yang, H, Xu, Y. | Deposit date: | 2021-08-31 | Release date: | 2022-02-16 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structure of the human RNA polymerase I elongation complex. Cell Discov, 7, 2021
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2J79
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![BU of 2j79 by Molmil](/molmil-images/mine/2j79) | Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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7PR0
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![BU of 7pr0 by Molmil](/molmil-images/mine/7pr0) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FD-5D Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FD-5D Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-09-20 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2. Theranostics, 12, 2022
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3PPD
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![BU of 3ppd by Molmil](/molmil-images/mine/3ppd) | GGVLVN segment from Human Prostatic Acid Phosphatase Residues 260-265, involved in Semen-Derived Enhancer of Viral Infection | Descriptor: | ACETIC ACID, GGVLVN peptide, amyloid forming segment, ... | Authors: | Zhao, A, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2010-11-24 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation. Nature, 475, 2011
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7Q21
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![BU of 7q21 by Molmil](/molmil-images/mine/7q21) | III2-IV2 respiratory supercomplex from Corynebacterium glutamicum | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P. | Deposit date: | 2021-10-22 | Release date: | 2022-02-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The respiratory supercomplex from C. glutamicum. Structure, 30, 2022
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5ZU3
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![BU of 5zu3 by Molmil](/molmil-images/mine/5zu3) | Effect of mutation (R554K) on FAD modification in Aspergillus oryzae RIB40formate oxidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Formate oxidase, ... | Authors: | Mikami, B, Uchida, H, Doubayashi, D. | Deposit date: | 2018-05-06 | Release date: | 2019-05-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The microenvironment surrounding FAD mediates its conversion to 8-formyl-FAD in Aspergillus oryzae RIB40 formate oxidase. J.Biochem., 166, 2019
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7VBB
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![BU of 7vbb by Molmil](/molmil-images/mine/7vbb) | Structure of the post state human RNA Polymerase I Elongation Complex | Descriptor: | DNA (25-MER), DNA (5'-D(*CP*TP*GP*TP*CP*CP*TP*CP*TP*GP*GP*CP*GP*A)-3'), DNA-directed RNA polymerase I subunit RPA1, ... | Authors: | Zhao, D, Liu, W, Chen, K, Yang, H, Xu, Y. | Deposit date: | 2021-08-31 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structure of the human RNA polymerase I elongation complex. Cell Discov, 7, 2021
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7JZL
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5RL5
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![BU of 5rl5 by Molmil](/molmil-images/mine/5rl5) | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-30 (Mpro-x3359) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-08-05 | Release date: | 2020-12-02 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors To Be Published
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7PP6
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![BU of 7pp6 by Molmil](/molmil-images/mine/7pp6) | MUC2 Tubules of D1D2D3 domains | 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, Fass, D. | Deposit date: | 2021-09-13 | Release date: | 2022-02-16 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q3X
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7PRM
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![BU of 7prm by Molmil](/molmil-images/mine/7prm) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13 | Descriptor: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | Authors: | Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J. | Deposit date: | 2021-09-22 | Release date: | 2022-02-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging. J.Med.Chem., 65, 2022
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7POV
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![BU of 7pov by Molmil](/molmil-images/mine/7pov) | MUC2 Tubules of D1D2D3 domains | 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, Fass, D. | Deposit date: | 2021-09-10 | Release date: | 2022-02-16 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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6A93
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![BU of 6a93 by Molmil](/molmil-images/mine/6a93) | Crystal structure of 5-HT2AR in complex with risperidone | Descriptor: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | Deposit date: | 2018-07-11 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine. Nat.Struct.Mol.Biol., 26, 2019
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6A8G
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![BU of 6a8g by Molmil](/molmil-images/mine/6a8g) | The crystal structure of muPAin-1-IG in complex with muPA-SPD at pH8.5 | Descriptor: | PHOSPHATE ION, Urokinase-type plasminogen activator chain B, muPAin-1-IG | Authors: | Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. | Deposit date: | 2018-07-08 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides. J.Med.Chem., 62, 2019
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7PMV
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![BU of 7pmv by Molmil](/molmil-images/mine/7pmv) | VWF Tubules of D1D2D'D3 domains | 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, Fass, D. | Deposit date: | 2021-09-02 | Release date: | 2022-02-23 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PNF
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![BU of 7pnf by Molmil](/molmil-images/mine/7pnf) | VWF Tubules of D1D2D'D3 domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Javitt, G, Fass, D. | Deposit date: | 2021-09-06 | Release date: | 2022-02-23 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (4.35 Å) | Cite: | Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PUA
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![BU of 7pua by Molmil](/molmil-images/mine/7pua) | Middle assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit | Descriptor: | 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ... | Authors: | Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N. | Deposit date: | 2021-09-29 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mitoribosomal small subunit maturation involves formation of initiation-like complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VVE
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![BU of 7vve by Molmil](/molmil-images/mine/7vve) | Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ... | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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