4HA5
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![BU of 4ha5 by Molmil](/molmil-images/mine/4ha5) | Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-25 | 公開日 | 2012-10-17 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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6A2B
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![BU of 6a2b by Molmil](/molmil-images/mine/6a2b) | Crystal Structure of Xenopus laevis MHC I complex | 分子名称: | Beta-2-microglobulin, MHC class I antigen, TYR-MET-MET-PRO-ARG-HIS-TRP-PRO-ILE | 著者 | Ma, L.Z, Xia, C. | 登録日 | 2018-06-10 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Glimpse of the Peptide Profile Presentation byXenopus laevisMHC Class I: Crystal Structure of pXela-UAA Reveals a Distinct Peptide-Binding Groove. J Immunol., 204, 2020
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6AJH
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![BU of 6ajh by Molmil](/molmil-images/mine/6ajh) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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4FZW
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![BU of 4fzw by Molmil](/molmil-images/mine/4fzw) | Crystal Structure of the PaaF-PaaG Hydratase-Isomerase Complex from E.coli | 分子名称: | 1,2-epoxyphenylacetyl-CoA isomerase, 2,3-dehydroadipyl-CoA hydratase, GLYCEROL | 著者 | Grishin, A.M, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | 登録日 | 2012-07-08 | 公開日 | 2012-09-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Protein-Protein Interactions in the beta-Oxidation Part of the Phenylacetate
Utilization Pathway. Crystal Structure of the PaaF-PaaG Hydratase-Isomerase Complex J.Biol.Chem., 287, 2012
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4L72
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![BU of 4l72 by Molmil](/molmil-images/mine/4l72) | Crystal structure of MERS-CoV complexed with human DPP4 | 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, Dipeptidyl peptidase 4, ... | 著者 | Wang, X.Q, Wang, N.S. | 登録日 | 2013-06-13 | 公開日 | 2013-08-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.005 Å) | 主引用文献 | Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4 Cell Res., 23, 2013
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4PY8
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![BU of 4py8 by Molmil](/molmil-images/mine/4py8) | Crystal structure of Fab 3.1 in complex with the 1918 influenza virus hemagglutinin | 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, Hemagglutinin HA1 chain, ... | 著者 | Dreyfus, C. | 登録日 | 2014-03-26 | 公開日 | 2014-05-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody. J.Virol., 88, 2014
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4X32
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![BU of 4x32 by Molmil](/molmil-images/mine/4x32) | Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant. | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | 著者 | Nogly, P, Standfuss, J. | 登録日 | 2014-11-27 | 公開日 | 2015-02-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Lipidic cubic phase serial millisecond crystallography using synchrotron radiation. Iucrj, 2, 2015
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4PZX
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![BU of 4pzx by Molmil](/molmil-images/mine/4pzx) | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | 分子名称: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | 著者 | Vigers, G.P.A. | 登録日 | 2014-03-31 | 公開日 | 2014-05-14 | 最終更新日 | 2014-10-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4ETC
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![BU of 4etc by Molmil](/molmil-images/mine/4etc) | Lysozyme, room temperature, 24 kGy dose | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.906 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4PZW
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![BU of 4pzw by Molmil](/molmil-images/mine/4pzw) | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | 分子名称: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | 著者 | Vigers, G.P.A. | 登録日 | 2014-03-31 | 公開日 | 2014-05-14 | 最終更新日 | 2014-10-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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6JFI
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![BU of 6jfi by Molmil](/molmil-images/mine/6jfi) | The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | 分子名称: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | 著者 | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | 登録日 | 2019-02-08 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (11 Å) | 主引用文献 | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
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5QIN
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6JEP
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![BU of 6jep by Molmil](/molmil-images/mine/6jep) | Structure of a neutralizing antibody bound to the Zika envelope protein domain III | 分子名称: | Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10 | 著者 | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | 登録日 | 2019-02-07 | 公開日 | 2019-05-15 | 最終更新日 | 2019-05-22 | 実験手法 | X-RAY DIFFRACTION (2.316 Å) | 主引用文献 | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
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4ET9
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![BU of 4et9 by Molmil](/molmil-images/mine/4et9) | Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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5QIM
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4ETD
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![BU of 4etd by Molmil](/molmil-images/mine/4etd) | Lysozyme, room-temperature, rotating anode, 0.0026 MGy | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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2V59
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5QIL
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7FC0
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![BU of 7fc0 by Molmil](/molmil-images/mine/7fc0) | Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) | 分子名称: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | 著者 | Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C. | 登録日 | 2021-07-13 | 公開日 | 2022-03-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.643 Å) | 主引用文献 | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
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7F70
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7F74
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![BU of 7f74 by Molmil](/molmil-images/mine/7f74) | Rv3094c in complex with FMN. | 分子名称: | FLAVIN MONONUCLEOTIDE, Rv3094c | 著者 | Wang, Z.X, Ouyang, S.Y. | 登録日 | 2021-06-27 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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4Y8D
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![BU of 4y8d by Molmil](/molmil-images/mine/4y8d) | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | 著者 | Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-02-16 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J.Med.Chem., 58, 2015
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7FAH
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![BU of 7fah by Molmil](/molmil-images/mine/7fah) | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | 著者 | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | 登録日 | 2021-07-06 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.151 Å) | 主引用文献 | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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5QIK
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![BU of 5qik by Molmil](/molmil-images/mine/5qik) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | 分子名称: | GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1 | 著者 | Sheriff, S. | 登録日 | 2018-08-05 | 公開日 | 2018-10-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents. ACS Med Chem Lett, 9, 2018
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7F72
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![BU of 7f72 by Molmil](/molmil-images/mine/7f72) | Rv3094c in complex with FAD and ETH. | 分子名称: | 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c | 著者 | Wang, Z.X, Ouyang, S.Y. | 登録日 | 2021-06-27 | 公開日 | 2022-07-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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