8YJX
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8X37
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![BU of 8x37 by Molmil](/molmil-images/mine/8x37) | Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP | 分子名称: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, Neryl-diphosphate synthase 1 | 著者 | Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S. | 登録日 | 2023-11-12 | 公開日 | 2024-02-07 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato. Chembiochem, 25, 2024
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9EUD
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![BU of 9eud by Molmil](/molmil-images/mine/9eud) | The FK1 domain of FKBP51 in complex with SAFit-analog 23c | 分子名称: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Buffa, V, Hausch, F. | 登録日 | 2024-03-27 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.022 Å) | 主引用文献 | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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8WXP
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8ZHA
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![BU of 8zha by Molmil](/molmil-images/mine/8zha) | HIV-1 integrase core domain in complex with compound 15 | 分子名称: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | 著者 | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | 登録日 | 2024-05-10 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 110, 2024
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9BF2
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![BU of 9bf2 by Molmil](/molmil-images/mine/9bf2) | MID domain of Ago2 bound to UMP | 分子名称: | Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE | 著者 | Harp, J.M, Egli, M. | 登録日 | 2024-04-16 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth. Curr Protoc, 4, 2024
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8VGD
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![BU of 8vgd by Molmil](/molmil-images/mine/8vgd) | Complex of ExbD with D-box peptide: Tetragonal form | 分子名称: | Biopolymer transport protein ExbD, GLN-PRO-ILE-SER-VAL-THR-MET-VAL-THR | 著者 | Loll, P.J. | 登録日 | 2023-12-27 | 公開日 | 2024-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery and structural characterization of the D-box, a conserved TonB motif that couples an inner-membrane motor to outer-membrane transport. J.Biol.Chem., 300, 2024
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9FWX
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![BU of 9fwx by Molmil](/molmil-images/mine/9fwx) | Crystal structure of BRD4 BD1 with MEN1404BS. | 分子名称: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D. | 登録日 | 2024-07-01 | 公開日 | 2024-08-07 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 67, 2024
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9EPL
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![BU of 9epl by Molmil](/molmil-images/mine/9epl) | Mpro from SARS-CoV-2 with 298Q mutation | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... | 著者 | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | 登録日 | 2024-03-18 | 公開日 | 2024-04-17 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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9BCM
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8VZ4
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8X2P
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![BU of 8x2p by Molmil](/molmil-images/mine/8x2p) | The Crystal Structure of LCK from Biortus. | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | 登録日 | 2023-11-10 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Crystal Structure of LCK from Biortus. To Be Published
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9B8Q
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![BU of 9b8q by Molmil](/molmil-images/mine/9b8q) | Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3, peripheral stalks | 分子名称: | V-type proton ATPase 116 kDa subunit a isoform 1, V-type proton ATPase subunit C 1, V-type proton ATPase subunit E 1, ... | 著者 | Coupland, C.E, Rubinstein, J.L. | 登録日 | 2024-03-31 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles. Science, 385, 2024
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8WOP
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![BU of 8wop by Molmil](/molmil-images/mine/8wop) | Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE | 著者 | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | 登録日 | 2023-10-07 | 公開日 | 2024-05-08 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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9ASW
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![BU of 9asw by Molmil](/molmil-images/mine/9asw) | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorobenzyl 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8VSG
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![BU of 8vsg by Molmil](/molmil-images/mine/8vsg) | SARS-CoV-2 main protease with covalent inhibitor | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Bell, J.A, Bandera, A.M. | 登録日 | 2024-01-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.071 Å) | 主引用文献 | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. Bioorg.Med.Chem., 103, 2024
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9BUL
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8X82
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9BXQ
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8XSY
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![BU of 8xsy by Molmil](/molmil-images/mine/8xsy) | Cryo-EM structure of the human 80S ribosome with Tigecycline, e-tRNA and CCDC124 (40S head Swivelled) | 分子名称: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | 著者 | Li, X, Wang, M, Cheng, J. | 登録日 | 2024-01-10 | 公開日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline. Nat Commun, 15, 2024
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9EY4
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![BU of 9ey4 by Molmil](/molmil-images/mine/9ey4) | The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | 分子名称: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Meyners, C, Krajczy, P, Hausch, F. | 登録日 | 2024-04-09 | 公開日 | 2024-06-12 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding Proteins. Chemistry, 30, 2024
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8X3A
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9ASV
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![BU of 9asv by Molmil](/molmil-images/mine/9asv) | Crystal structure of SARS-CoV-2 3CL protease in complex with a benzyl 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8X2Q
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![BU of 8x2q by Molmil](/molmil-images/mine/8x2q) | The Crystal Structure of APC from Biortus. | 分子名称: | 1,2-ETHANEDIOL, Adenomatous polyposis coli protein | 著者 | Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C. | 登録日 | 2023-11-10 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Crystal Structure of APC from Biortus. To Be Published
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9C0Z
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![BU of 9c0z by Molmil](/molmil-images/mine/9c0z) | Clathrin terminal domain complexed with pitstop 2d | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | 登録日 | 2024-05-28 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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