7NPN
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![BU of 7npn by Molmil](/molmil-images/mine/7npn) | B-brick bare in 5 mM Mg2+ | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | Authors: | Bertosin, E, Stoemmer, P, Feigl, E, Wenig, M, Honemann, M, Dietz, H. | Deposit date: | 2021-02-27 | Release date: | 2021-03-31 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (10.38 Å) | Cite: | Cryo-Electron Microscopy and Mass Analysis of Oligolysine-Coated DNA Nanostructures. Acs Nano, 15, 2021
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5I8Q
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![BU of 5i8q by Molmil](/molmil-images/mine/5i8q) | S. cerevisiae Prp43 in complex with RNA and ADPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pre-mRNA-splicing factor ATP-dependent RNA helicase PRP43, ... | Authors: | He, Y, Nielsen, K.H, Andersen, G.R. | Deposit date: | 2016-02-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the DEAH/RHA ATPase Prp43p bound to RNA implicates a pair of hairpins and motif Va in translocation along RNA. RNA, 23, 2017
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7NEO
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![BU of 7neo by Molmil](/molmil-images/mine/7neo) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 15 | Descriptor: | 2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2021-02-04 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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7NBT
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![BU of 7nbt by Molmil](/molmil-images/mine/7nbt) | Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 21 | Descriptor: | 2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Talibov, V.O. | Deposit date: | 2021-01-27 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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7NCZ
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![BU of 7ncz by Molmil](/molmil-images/mine/7ncz) | |
7NL3
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![BU of 7nl3 by Molmil](/molmil-images/mine/7nl3) | |
7NDE
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![BU of 7nde by Molmil](/molmil-images/mine/7nde) | Trichoderma parareesei PL7A beta-glucuronan lyase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucuronan lyase | Authors: | Fredslund, F, Welner, D.H, Wilkens, C. | Deposit date: | 2021-02-01 | Release date: | 2022-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Glucuronan lyases from family PL7 use a Tyr/Tyr syn beta-elimination catalytic mechanism for glucuronan breakdown. Chem.Commun.(Camb.), 60, 2024
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7NM6
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5IUQ
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![BU of 5iuq by Molmil](/molmil-images/mine/5iuq) | Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.121 Å) | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands To Be Published
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7NPP
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7NOZ
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![BU of 7noz by Molmil](/molmil-images/mine/7noz) | Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 alpha chain, Complement C3 beta chain, ... | Authors: | Lorenzen, J, Pedersen, D.V, Andersen, G.R. | Deposit date: | 2021-02-26 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Structure determination of an unstable macromolecular complex enabled by nanobody-peptide bridging. Protein Sci., 31, 2022
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5K06
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![BU of 5k06 by Molmil](/molmil-images/mine/5k06) | Recombinant bovine beta-lactoglobulin with uncleaved N-terminal methionine (rBlgB) | Descriptor: | Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID, ... | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. | Deposit date: | 2016-05-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation. Mol Biotechnol., 58, 2016
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7NTL
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![BU of 7ntl by Molmil](/molmil-images/mine/7ntl) | AA9 lytic polysaccharide monooxygenase (LPMO) from Malbranchea cinnamomea | Descriptor: | CITRIC ACID, COPPER (II) ION, LPMO9F | Authors: | Mazurkewich, S, Seveso, A, Huttner, S, Branden, G, Larsbrink, L. | Deposit date: | 2021-03-10 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of a C1/C4-oxidizing AA9 lytic polysaccharide monooxygenase from the thermophilic fungus Malbranchea cinnamomea. Acta Crystallogr D Struct Biol, 77, 2021
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5JOD
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![BU of 5jod by Molmil](/molmil-images/mine/5jod) | Structure of proplasmepsin IV from Plasmodium falciparum | Descriptor: | GLYCEROL, Proplasmepsin IV | Authors: | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | Deposit date: | 2016-05-02 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.528 Å) | Cite: | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins. Acta Crystallogr.,Sect.F, 72, 2016
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7NY3
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7O6H
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7O76
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5J07
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![BU of 5j07 by Molmil](/molmil-images/mine/5j07) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-27 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J0C
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![BU of 5j0c by Molmil](/molmil-images/mine/5j0c) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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7OFF
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![BU of 7off by Molmil](/molmil-images/mine/7off) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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5JTT
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![BU of 5jtt by Molmil](/molmil-images/mine/5jtt) | Crystal structure of GPb in complex with 8a | Descriptor: | (1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2016-05-09 | Release date: | 2016-08-24 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase. Eur.J.Med.Chem., 123, 2016
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4YDQ
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![BU of 4ydq by Molmil](/molmil-images/mine/4ydq) | Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Plasmodium falciparum in complex with Halofuginone and AMPPNP | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Yogavel, M, Sharma, A. | Deposit date: | 2015-02-23 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Prolyl-tRNA Synthetase-Halofuginone Complex Provides Basis for Development of Drugs against Malaria and Toxoplasmosis Structure, 23, 2015
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7P01
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![BU of 7p01 by Molmil](/molmil-images/mine/7p01) | Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with acarbose | Descriptor: | 1-methylpyrrolidin-2-one, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, BaAG2, ... | Authors: | Ernits, K, Visnapuu, T, Persson, K. | Deposit date: | 2021-06-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity. J Fungi (Basel), 7, 2021
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7P07
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![BU of 7p07 by Molmil](/molmil-images/mine/7p07) | Structure of the maltase BaAG2 from Blastobotrys adeninivorans in complex with glucose | Descriptor: | 1-methylpyrrolidin-2-one, BaAG2, CALCIUM ION, ... | Authors: | Ernits, K, Visnapuu, T, Persson, K. | Deposit date: | 2021-06-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Insight into a Yeast Maltase-The Ba AG2 from Blastobotrys adeninivorans with Transglycosylating Activity. J Fungi (Basel), 7, 2021
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5IDI
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![BU of 5idi by Molmil](/molmil-images/mine/5idi) | Structure of beta glucosidase 1A from Thermotoga neapolitana, mutant E349A | Descriptor: | 1,4-beta-D-glucan glucohydrolase, ACETATE ION | Authors: | Kulkarni, T, Nordberg Karlsson, E, Logan, D.T. | Deposit date: | 2016-02-24 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of beta-glucosidase 1A from Thermotoga neapolitana and comparison of active site mutants for hydrolysis of flavonoid glucosides. Proteins, 85, 2017
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