5LU9
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![BU of 5lu9 by Molmil](/molmil-images/mine/5lu9) | Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ... | 著者 | Dall, E, Ye, K, Brandstetter, H. | 登録日 | 2016-09-08 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun, 8, 2017
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5LUA
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![BU of 5lua by Molmil](/molmil-images/mine/5lua) | Crystal structure of human legumain (AEP) in complex with compound 11b | 分子名称: | 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dall, E, Ye, K, Brandstetter, H. | 登録日 | 2016-09-08 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun, 8, 2017
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5LU8
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![BU of 5lu8 by Molmil](/molmil-images/mine/5lu8) | CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B | 分子名称: | 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ... | 著者 | Dall, E, Ye, K, Brandstetter, H. | 登録日 | 2016-09-08 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun, 8, 2017
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5LUB
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![BU of 5lub by Molmil](/molmil-images/mine/5lub) | Crystal structure of human legumain (AEP) in complex with compound 11 | 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, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ... | 著者 | Dall, E, Ye, K, Brandstetter, H. | 登録日 | 2016-09-08 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun, 8, 2017
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6E8H
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![BU of 6e8h by Molmil](/molmil-images/mine/6e8h) | Legionella Longbeachae LeSH (Llo2327) | 分子名称: | CHLORIDE ION, LeSH (Llo2327) | 著者 | Kaneko, T, Li, S.S.C. | 登録日 | 2018-07-29 | 公開日 | 2018-11-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Identification and characterization of a large family of superbinding bacterial SH2 domains. Nat Commun, 9, 2018
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1KVW
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1KVY
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![BU of 1kvy by Molmil](/molmil-images/mine/1kvy) | |
6LT0
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![BU of 6lt0 by Molmil](/molmil-images/mine/6lt0) | cryo-EM structure of C9ORF72-SMCR8-WDR41 | 分子名称: | Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41 | 著者 | Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S. | 登録日 | 2020-01-21 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a. Proc.Natl.Acad.Sci.USA, 117, 2020
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7YC9
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![BU of 7yc9 by Molmil](/molmil-images/mine/7yc9) | Co-crystal structure of BTK kinase domain with inhibitor | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | 著者 | Zhou, X. | 登録日 | 2022-07-01 | 公開日 | 2023-05-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J.Med.Chem., 66, 2023
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8K5Q
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![BU of 8k5q by Molmil](/molmil-images/mine/8k5q) | Crystal structure of YajQ STM0435 with c-di-GMP | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), YajQ | 著者 | Dai, Y, Zhang, M, Wang, W, Li, B. | 登録日 | 2023-07-23 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella Virulence, 15, 2024
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8K4I
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6V2F
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![BU of 6v2f by Molmil](/molmil-images/mine/6v2f) | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | 分子名称: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | 著者 | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | 登録日 | 2019-11-22 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
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3WDO
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![BU of 3wdo by Molmil](/molmil-images/mine/3wdo) | Structure of E. coli YajR transporter | 分子名称: | MFS Transporter | 著者 | Jiang, D. | 登録日 | 2013-06-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structure of the YajR transporter suggests a transport mechanism based on the conserved motif A Proc.Natl.Acad.Sci.USA, 110, 2013
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1B4P
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![BU of 1b4p by Molmil](/molmil-images/mine/1b4p) | CRYSTAL STRUCTURES OF CLASS MU CHIMERIC GST ISOENZYMES M1-2 AND M2-1 | 分子名称: | L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, PROTEIN (GLUTATHIONE S-TRANSFERASE), SULFATE ION | 著者 | Xiao, G, Chen, J, Armstrong, R.N, Gilliland, G.L. | 登録日 | 1998-12-26 | 公開日 | 2003-07-08 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structures of Class MU Chimeric GST Isoenzymes M1-2 and M2-1 To be Published
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6LJB
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6LP6
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![BU of 6lp6 by Molmil](/molmil-images/mine/6lp6) | Crystal structure of human DHODH in complex with inhibitor 1214 | 分子名称: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6LP8
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![BU of 6lp8 by Molmil](/molmil-images/mine/6lp8) | Crystal structure of human DHODH in complex with inhibitor 1243 | 分子名称: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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7YDY
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![BU of 7ydy by Molmil](/molmil-images/mine/7ydy) | SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab | 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, Heavy chain of R1-32 Fab, ... | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | 登録日 | 2022-07-04 | 公開日 | 2022-08-24 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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7YEG
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![BU of 7yeg by Molmil](/molmil-images/mine/7yeg) | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2 | 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, Angiotensin-converting enzyme 2, ... | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | 登録日 | 2022-07-05 | 公開日 | 2022-08-24 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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7YDI
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![BU of 7ydi by Molmil](/molmil-images/mine/7ydi) | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ... | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | 登録日 | 2022-07-04 | 公開日 | 2022-08-24 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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7YE5
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![BU of 7ye5 by Molmil](/molmil-images/mine/7ye5) | SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs | 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, Heavy chain of R1-32 Fab, ... | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | 登録日 | 2022-07-05 | 公開日 | 2022-08-24 | 最終更新日 | 2024-04-03 | 実験手法 | ELECTRON MICROSCOPY (6.75 Å) | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope. Nat Microbiol, 7, 2022
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | 分子名称: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | 著者 | Jian, L, Sun, Q. | 登録日 | 2023-07-18 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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8JYE
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![BU of 8jye by Molmil](/molmil-images/mine/8jye) | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ... | 著者 | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | 登録日 | 2023-07-03 | 公開日 | 2023-09-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8JYC
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![BU of 8jyc by Molmil](/molmil-images/mine/8jyc) | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP | 分子名称: | 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ... | 著者 | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | 登録日 | 2023-07-03 | 公開日 | 2023-09-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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5ISL
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![BU of 5isl by Molmil](/molmil-images/mine/5isl) | |