7TIA
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![BU of 7tia by Molmil](/molmil-images/mine/7tia) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | 分子名称: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | 著者 | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | 登録日 | 2022-01-13 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIX
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![BU of 7tix by Molmil](/molmil-images/mine/7tix) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | 分子名称: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | 登録日 | 2022-01-14 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TJ0
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![BU of 7tj0 by Molmil](/molmil-images/mine/7tj0) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | 著者 | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | 登録日 | 2022-01-14 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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8UH8
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![BU of 8uh8 by Molmil](/molmil-images/mine/8uh8) | Crystal structure of SARS-CoV-2 main protease E166V (Apo structure) | 分子名称: | ORF1a polyprotein | 著者 | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2023-10-07 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH5
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![BU of 8uh5 by Molmil](/molmil-images/mine/8uh5) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-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, DI(HYDROXYETHYL)ETHER | 著者 | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2023-10-06 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH9
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![BU of 8uh9 by Molmil](/molmil-images/mine/8uh9) | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-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, DI(HYDROXYETHYL)ETHER | 著者 | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | 登録日 | 2023-10-07 | 公開日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.067 Å) | 主引用文献 | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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5EO8
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![BU of 5eo8 by Molmil](/molmil-images/mine/5eo8) | Crystal structure of AOL(868) | 分子名称: | Predicted protein, methyl 1-seleno-beta-L-fucopyranoside | 著者 | Kato, R, Kiso, M, Ishida, H, Ando, H, Suzuki, T, Shimabukuro, S, Makyio, H. | 登録日 | 2015-11-10 | 公開日 | 2016-06-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Six independent fucose-binding sites in the crystal structure of Aspergillus oryzae lectin Biochem.Biophys.Res.Commun., 477, 2016
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8XZ2
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![BU of 8xz2 by Molmil](/molmil-images/mine/8xz2) | The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria | 分子名称: | D-alanyl-D-alanine dipeptidase | 著者 | Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T. | 登録日 | 2024-01-20 | 公開日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria. Protein Sci., 33, 2024
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5GHC
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![BU of 5ghc by Molmil](/molmil-images/mine/5ghc) | |
5GHB
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![BU of 5ghb by Molmil](/molmil-images/mine/5ghb) | |
6S8J
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![BU of 6s8j by Molmil](/molmil-images/mine/6s8j) | Structure of ZEBOV GP in complex with 5T0180 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope Glycoprotein 1, Envelope glycoprotein, ... | 著者 | Diskin, R, Cohen-Dvashi, H. | 登録日 | 2019-07-10 | 公開日 | 2020-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | 主引用文献 | Structural Basis for a Convergent Immune Response against Ebola Virus. Cell Host Microbe, 27, 2020
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6S8I
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![BU of 6s8i by Molmil](/molmil-images/mine/6s8i) | Structure of ZEBOV GP in complex with 3T0265 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Enveloped Glycoprotein 1, ... | 著者 | Diskin, R, Cohen-Dvashi, H. | 登録日 | 2019-07-10 | 公開日 | 2020-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | 主引用文献 | Structural Basis for a Convergent Immune Response against Ebola Virus. Cell Host Microbe, 27, 2020
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6S8D
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![BU of 6s8d by Molmil](/molmil-images/mine/6s8d) | Structure of ZEBOV GP in complex with 1T0227 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Heavy chain, ... | 著者 | Diskin, R, Cohen-Dvashi, H. | 登録日 | 2019-07-09 | 公開日 | 2020-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Structural Basis for a Convergent Immune Response against Ebola Virus. Cell Host Microbe, 27, 2020
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6S9J
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![BU of 6s9j by Molmil](/molmil-images/mine/6s9j) | Crystal structure of TfR1 mimicry in complex with GP1 from MACV | 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, Pre-glycoprotein polyprotein GP complex, ... | 著者 | Diskin, R, Cohen-Dvashi, H. | 登録日 | 2019-07-15 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | 主引用文献 | Rational design of universal immunotherapy for TfR1-tropic arenaviruses. Nat Commun, 11, 2020
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8GV2
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![BU of 8gv2 by Molmil](/molmil-images/mine/8gv2) | Crystal structure of anti-FX IgG fab without FAST-Ig mutations | 分子名称: | 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain | 著者 | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | 登録日 | 2022-09-14 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.274 Å) | 主引用文献 | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8GV1
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![BU of 8gv1 by Molmil](/molmil-images/mine/8gv1) | Crystal structure of anti-FX IgG fab with FAST-Ig mutations | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Anti-factor X IgG fab heavy chain, ... | 著者 | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | 登録日 | 2022-09-14 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.186 Å) | 主引用文献 | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8GUZ
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![BU of 8guz by Molmil](/molmil-images/mine/8guz) | Crystal structure of anti-FIXa IgG fab with FAST-Ig mutations | 分子名称: | 1,2-ETHANEDIOL, Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain | 著者 | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | 登録日 | 2022-09-14 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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8GV0
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![BU of 8gv0 by Molmil](/molmil-images/mine/8gv0) | Crystal structure of anti-FIXa IgG fab without FAST-Ig mutations | 分子名称: | Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain | 著者 | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | 登録日 | 2022-09-14 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.192 Å) | 主引用文献 | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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3Q2Z
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![BU of 3q2z by Molmil](/molmil-images/mine/3q2z) | Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid | 分子名称: | N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid, PHOSPHATE ION, Squalene synthase | 著者 | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | 登録日 | 2010-12-21 | 公開日 | 2011-12-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors Bioorg.Med.Chem., 19, 2011
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8WUC
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![BU of 8wuc by Molmil](/molmil-images/mine/8wuc) | Cryo-EM structure of H. thermoluteolus GroEL-GroES2 football complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ... | 著者 | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | 登録日 | 2023-10-20 | 公開日 | 2024-03-27 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural insights into thermophilic chaperonin complexes. Structure, 32, 2024
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5GUH
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![BU of 5guh by Molmil](/molmil-images/mine/5guh) | Crystal structure of silkworm PIWI-clade Argonaute Siwi bound to piRNA | 分子名称: | MAGNESIUM ION, PIWI, RNA (28-MER) | 著者 | Matsumoto, N, Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2016-08-29 | 公開日 | 2016-10-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of Silkworm PIWI-Clade Argonaute Siwi Bound to piRNA Cell, 167, 2016
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8RXR
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![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | 分子名称: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | 登録日 | 2024-02-07 | 公開日 | 2024-03-20 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 18, 2024
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6UWC
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![BU of 6uwc by Molmil](/molmil-images/mine/6uwc) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613 | 分子名称: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | 登録日 | 2019-11-05 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro. Antimicrob.Agents Chemother., 66, 2022
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6UWB
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![BU of 6uwb by Molmil](/molmil-images/mine/6uwb) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08513 | 分子名称: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | 登録日 | 2019-11-05 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro. Antimicrob.Agents Chemother., 66, 2022
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6GH8
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![BU of 6gh8 by Molmil](/molmil-images/mine/6gh8) | Crystal structure of GP1 domain of Lujo virus in complex with the first CUB domain of neuropilin-2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycoprotein, ... | 著者 | Cohen-Dvashi, H, Kilimnik, I, Diskin, R. | 登録日 | 2018-05-06 | 公開日 | 2018-07-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Structural basis for receptor recognition by Lujo virus. Nat Microbiol, 3, 2018
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