9F55
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![BU of 9f55 by Molmil](/molmil-images/mine/9f55) | UP1 in complex with Z235361315 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8ZB8
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![BU of 8zb8 by Molmil](/molmil-images/mine/8zb8) | Crystal structure of T2R-TTL-DPP21 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ... | Authors: | Wu, C.Y, Chen, J.J. | Deposit date: | 2024-04-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structure of T2R-TTL-DPP21 complex To Be Published
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9AUL
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![BU of 9aul by Molmil](/molmil-images/mine/9aul) | Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332) | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.421 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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9EZ1
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![BU of 9ez1 by Molmil](/molmil-images/mine/9ez1) | Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 | Descriptor: | 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2024-04-10 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9F4F
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![BU of 9f4f by Molmil](/molmil-images/mine/9f4f) | UP1 in complex with Z86417414 | Descriptor: | 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4O
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![BU of 9f4o by Molmil](/molmil-images/mine/9f4o) | UP1 in complex with Z991506900 | Descriptor: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8XDT
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![BU of 8xdt by Molmil](/molmil-images/mine/8xdt) | |
9FDJ
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![BU of 9fdj by Molmil](/molmil-images/mine/9fdj) | Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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8XRI
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![BU of 8xri by Molmil](/molmil-images/mine/8xri) | |
9F4Y
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![BU of 9f4y by Molmil](/molmil-images/mine/9f4y) | UP1 in complex with Z90120418 | Descriptor: | 1-(3,4,5-trimethoxyphenyl)methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8XFD
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![BU of 8xfd by Molmil](/molmil-images/mine/8xfd) | Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348) | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ... | Authors: | Sun, R, Achour, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348 Crystals, 2024
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9FIJ
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![BU of 9fij by Molmil](/molmil-images/mine/9fij) | Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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8Y6C
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![BU of 8y6c by Molmil](/molmil-images/mine/8y6c) | Norovirus GII.10 P domain and 2'-FL (powder) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GII.10 norovirus P domain in complex with 2'FL (powder), ... | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | Deposit date: | 2024-02-02 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Norovirus GII.10 P domain and 2'-FL (powder) To Be Published
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8ZH5
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![BU of 8zh5 by Molmil](/molmil-images/mine/8zh5) | |
8ZFW
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![BU of 8zfw by Molmil](/molmil-images/mine/8zfw) | |
9CWL
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![BU of 9cwl by Molmil](/molmil-images/mine/9cwl) | |
9F5E
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![BU of 9f5e by Molmil](/molmil-images/mine/9f5e) | UP1 in complex with Z30820160 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9BOO
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![BU of 9boo by Molmil](/molmil-images/mine/9boo) | Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883 | Descriptor: | 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | Authors: | Chen, P, Arutyunova, E, Lemieux, M.J. | Deposit date: | 2024-05-05 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (Mpro) of SARS-CoV-2 and MERS-CoV Jacs Au, 2024
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9FBY
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![BU of 9fby by Molmil](/molmil-images/mine/9fby) | |
9F4K
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![BU of 9f4k by Molmil](/molmil-images/mine/9f4k) | UP1 in complex with ZINC72259689 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4G
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![BU of 9f4g by Molmil](/molmil-images/mine/9f4g) | UP1 in complex with Z1373445602 | Descriptor: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8ZMV
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![BU of 8zmv by Molmil](/molmil-images/mine/8zmv) | Structure of a triple-helix region of human Collagen type XVII from Trautec | Descriptor: | collagen type XVII | Authors: | Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S. | Deposit date: | 2024-05-24 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of a triple-helix region of human Collagen type XVII from Trautec To Be Published
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8YFJ
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![BU of 8yfj by Molmil](/molmil-images/mine/8yfj) | TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-ATTGGATCCAAT-3') | Descriptor: | Activating signal cointegrator 1, DNA (5'-D(*AP*TP*TP*GP*GP*AP*TP*CP*CP*AP*AP*T)-3') | Authors: | Ding, J, Yang, H, Hu, C. | Deposit date: | 2024-02-24 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role. Structure, 2024
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9EV4
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![BU of 9ev4 by Molmil](/molmil-images/mine/9ev4) | Pyruvate:quinone oxidoreductase (PQO) from Corynebacterium glutamicum CS176 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thiamine pyrophosphate-requiring enzymes [acetolactate synthase, pyruvate dehydrogenase (Cytochrome), ... | Authors: | Da Silva Lameira, C, Muenssinger, S, Yang, L, Eikmanns, B.J, Bellinzoni, M. | Deposit date: | 2024-03-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.474 Å) | Cite: | Corynebacterium glutamicum pyruvate:quinone oxidoreductase: an enigmatic metabolic enzyme with unusual structural features. Febs J., 2024
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9COZ
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![BU of 9coz by Molmil](/molmil-images/mine/9coz) | |