6NMP
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![BU of 6nmp by Molmil](/molmil-images/mine/6nmp) | SFX structure of oxidized cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-11 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5HZB
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![BU of 5hzb by Molmil](/molmil-images/mine/5hzb) | Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL) | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hansman, G.S, Koromyslova, A.D, Singh, B.K.S. | Deposit date: | 2016-02-02 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides. J.Virol., 90, 2016
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5HZA
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![BU of 5hza by Molmil](/molmil-images/mine/5hza) | Crystal structure of GII.10 P domain in complex with 3-fucosyllactose (3 FL) | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]beta-D-glucopyranose | Authors: | Hansman, G.S, Koromyslova, A.D, Singh, B.K. | Deposit date: | 2016-02-02 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides. J.Virol., 90, 2016
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5T37
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![BU of 5t37 by Molmil](/molmil-images/mine/5t37) | crystal structure of mPGES-1 bound to inhibitor | Descriptor: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M. | Deposit date: | 2016-08-24 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett., 27, 2017
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4F9N
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![BU of 4f9n by Molmil](/molmil-images/mine/4f9n) | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein | Authors: | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-05-19 | Release date: | 2012-06-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution To be Published
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8EXP
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![BU of 8exp by Molmil](/molmil-images/mine/8exp) | Cryo-EM structure of S. aureus BlaR1 with C2 symmetry | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXS
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![BU of 8exs by Molmil](/molmil-images/mine/8exs) | Cryo-EM structure of S. aureus BlaR1 F284A mutant | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXR
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![BU of 8exr by Molmil](/molmil-images/mine/8exr) | Cryo-EM structure of S. aureus BlaR1 TM and zinc metalloprotease domain | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Beta-lactam sensor/signal transducer BlaR1, PHOSPHATE ION, ... | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXT
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![BU of 8ext by Molmil](/molmil-images/mine/8ext) | Cryo-EM structure of S. aureus BlaR1 F284A mutant in complex with ampicillin | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXQ
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![BU of 8exq by Molmil](/molmil-images/mine/8exq) | Cryo-EM structure of S. aureus BlaR1 with C1 symmetry | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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3DGB
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![BU of 3dgb by Molmil](/molmil-images/mine/3dgb) | Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-13 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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3DG3
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![BU of 3dg3 by Molmil](/molmil-images/mine/3dg3) | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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7Z4V
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![BU of 7z4v by Molmil](/molmil-images/mine/7z4v) | Structure of Serine-Threonine kinase STK25 in complex with compound | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 25, ~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | Deposit date: | 2022-03-04 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25. Bioorg.Med.Chem.Lett., 75, 2022
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5BQL
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![BU of 5bql by Molmil](/molmil-images/mine/5bql) | Fluorescent protein cyOFP | Descriptor: | Fluorescent protein cyOFP | Authors: | Sens, A, Ataie, N, Ng, H.L, Lin, M.Z, Chu, J. | Deposit date: | 2015-05-29 | Release date: | 2016-06-01 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A Guide to Fluorescent Protein FRET Pairs. Sensors Basel Sensors, 16, 2016
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5WQD
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![BU of 5wqd by Molmil](/molmil-images/mine/5wqd) | |
8OZB
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![BU of 8ozb by Molmil](/molmil-images/mine/8ozb) | Crystal structure of Nup35-Nb complex | Descriptor: | Nucleoporin NUP35, Nup35 nanobody | Authors: | Srinivasan, V. | Deposit date: | 2023-05-08 | Release date: | 2024-02-28 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 43, 2024
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6XCR
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![BU of 6xcr by Molmil](/molmil-images/mine/6xcr) | NMR structure of Ost4 in DPC micelles | Descriptor: | Oligosaccharyltransferase | Authors: | Chaudhary, B.P. | Deposit date: | 2020-06-09 | Release date: | 2021-02-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4. Glycobiology, 31, 2021
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5BNQ
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![BU of 5bnq by Molmil](/molmil-images/mine/5bnq) | Crystal structure of hRANKL-mRANK complex | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ... | Authors: | Ren, J. | Deposit date: | 2015-05-26 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A RANKL mutant used as an inter-species vaccine for efficient immunotherapy of osteoporosis. Sci Rep, 5, 2015
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7YMN
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![BU of 7ymn by Molmil](/molmil-images/mine/7ymn) | Cryo-EM structure of in vitro PHF fibril | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | Authors: | Li, X, Liu, C. | Deposit date: | 2022-07-28 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Subtle change of fibrillation condition leads to substantial alteration of recombinant Tau fibril structure. Iscience, 25, 2022
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6KYA
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![BU of 6kya by Molmil](/molmil-images/mine/6kya) | Crystal structure of human TLR8 in complex TH1027 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol, ... | Authors: | Tanji, H, Sakaniwa, K, Ohto, U, Shimizu, T. | Deposit date: | 2019-09-17 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface. J.Med.Chem., 63, 2020
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6XCU
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6LIT
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![BU of 6lit by Molmil](/molmil-images/mine/6lit) | Estrogen-related receptor beta(ERR2) in complex with BPA | Descriptor: | 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-13 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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7KHL
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![BU of 7khl by Molmil](/molmil-images/mine/7khl) | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | Authors: | Murray, J.M. | Deposit date: | 2020-10-21 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.286 Å) | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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7KHH
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![BU of 7khh by Molmil](/molmil-images/mine/7khh) | Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | Authors: | Murray, J.M. | Deposit date: | 2020-10-21 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.281 Å) | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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6B9M
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![BU of 6b9m by Molmil](/molmil-images/mine/6b9m) | |