6L7K
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5C82
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6YKJ
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![BU of 6ykj by Molmil](/molmil-images/mine/6ykj) | Crystal structure of YTHDC1 with compound DHU_DC1_125 | 分子名称: | SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-06 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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5CN9
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![BU of 5cn9 by Molmil](/molmil-images/mine/5cn9) | Ultrafast dynamics in myoglobin: 0.4 ps time delay | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | 登録日 | 2015-07-17 | 公開日 | 2015-09-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CBW
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![BU of 5cbw by Molmil](/molmil-images/mine/5cbw) | Human Cyclophilin D Complexed with Inhibitor. | 分子名称: | FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | 著者 | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | 登録日 | 2015-07-01 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Human Cyclophilin D Complexed with Inhibitor. To Be Published
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6VA7
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5CFU
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![BU of 5cfu by Molmil](/molmil-images/mine/5cfu) | Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin | 分子名称: | 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ... | 著者 | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | 登録日 | 2015-07-08 | 公開日 | 2016-07-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study. Acs Chem.Biol., 2020
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5CAW
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6Y6U
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![BU of 6y6u by Molmil](/molmil-images/mine/6y6u) | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | 分子名称: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | 著者 | Newman, H, Bellini, D, Dowson, C.G. | 登録日 | 2020-02-27 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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6V9S
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![BU of 6v9s by Molmil](/molmil-images/mine/6v9s) | Structure-based development of subtype-selective orexin 1 receptor antagonists | 分子名称: | CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ... | 著者 | Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P. | 登録日 | 2019-12-16 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structure-based development of a subtype-selective orexin 1 receptor antagonist. Proc.Natl.Acad.Sci.USA, 117, 2020
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6V9Y
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![BU of 6v9y by Molmil](/molmil-images/mine/6v9y) | Structure of TRPA1 bound with A-967079, PMAL-C8 | 分子名称: | Transient receptor potential cation channel subfamily A member 1 | 著者 | Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D. | 登録日 | 2019-12-16 | 公開日 | 2020-05-06 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Irritant-evoked activation and calcium modulation of the TRPA1 receptor. Nature, 585, 2020
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6YAC
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![BU of 6yac by Molmil](/molmil-images/mine/6yac) | Plant PSI-ferredoxin supercomplex | 分子名称: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | 著者 | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | 登録日 | 2020-03-12 | 公開日 | 2020-09-30 | 最終更新日 | 2020-10-21 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin. Nat.Plants, 6, 2020
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5CI6
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6LMR
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6V8D
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![BU of 6v8d by Molmil](/molmil-images/mine/6v8d) | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | 分子名称: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | 著者 | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | 登録日 | 2019-12-10 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators To Be Published
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6LNT
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![BU of 6lnt by Molmil](/molmil-images/mine/6lnt) | Cryo-EM structure of immature Zika virus in complex with human antibody DV62.5 Fab | 分子名称: | Envelope protein, Fab DV62.5 heavy-chain variable region, Fab DV62.5 light-chain variable region, ... | 著者 | Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M. | 登録日 | 2020-01-02 | 公開日 | 2020-02-26 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Capsid protein structure in Zika virus reveals the flavivirus assembly process. Nat Commun, 11, 2020
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6VHA
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![BU of 6vha by Molmil](/molmil-images/mine/6vha) | Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | 分子名称: | Microtubule-associated protein tau | 著者 | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | 登録日 | 2020-01-09 | 公開日 | 2020-03-04 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains. Cell, 180, 2020
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6VHH
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![BU of 6vhh by Molmil](/molmil-images/mine/6vhh) | Human Teneurin-2 and human Latrophilin-3 binary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L3, ... | 著者 | Xie, Y, Li, J, Arac, D, Zhao, M. | 登録日 | 2020-01-09 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Alternative splicing controls teneurin-latrophilin interaction and synapse specificity by a shape-shifting mechanism. Nat Commun, 11, 2020
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6UXZ
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5CON
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![BU of 5con by Molmil](/molmil-images/mine/5con) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-015 | 分子名称: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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6YNI
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![BU of 6yni by Molmil](/molmil-images/mine/6yni) | Crystal structure of YTHDC1 with compound DHU_DC1_036 | 分子名称: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-13 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNL
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![BU of 6ynl by Molmil](/molmil-images/mine/6ynl) | Crystal structure of YTHDC1 with compound DHU_DC1_078 | 分子名称: | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6M1I
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![BU of 6m1i by Molmil](/molmil-images/mine/6m1i) | CryoEM structure of human PAC1 receptor in complex with PACAP38 | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | 登録日 | 2020-02-26 | 公開日 | 2020-03-11 | 最終更新日 | 2020-05-27 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism. Cell Res., 30, 2020
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6YNP
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![BU of 6ynp by Molmil](/molmil-images/mine/6ynp) | Crystal structure of YTHDC1 with compound T96C1 | 分子名称: | CHLORIDE ION, SULFATE ION, YTHDC1, ... | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YOR
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![BU of 6yor by Molmil](/molmil-images/mine/6yor) | Structure of the SARS-CoV-2 spike S1 protein in complex with CR3022 Fab | 分子名称: | IgG H chain, IgG L chain, Spike glycoprotein | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Duyvesteyn, H.M.E, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | 登録日 | 2020-04-15 | 公開日 | 2020-04-29 | 最終更新日 | 2022-04-06 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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