7K6N
 
 | | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | 登録日 | 2020-09-21 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6M
 | | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | | 分子名称: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | 登録日 | 2020-09-21 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.413 Å) | | 主引用文献 | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7XNR
 | | SARS-CoV-2 Omicron BA.2.13 variant spike | | 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, Spike glycoprotein | | 著者 | Wang, X, Wang, L. | | 登録日 | 2022-04-29 | | 公開日 | 2022-07-13 | | 最終更新日 | 2022-08-31 | | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | | 主引用文献 | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7X6A
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5TUS
 | | Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule | | 分子名称: | 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | | 著者 | Mohammed, F.A, Alam, I, Dealwis, C.G. | | 登録日 | 2016-11-07 | | 公開日 | 2017-08-02 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7TPS
 | | Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B. | | 登録日 | 2022-01-26 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
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6LAD
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6LAF
 | | Crystal structure of the core domain of Amuc_1100 from Akkermansia muciniphila | | 分子名称: | Amuc_1100, SULFATE ION | | 著者 | Wang, J, Xiang, R, Zhang, M, Wang, M. | | 登録日 | 2019-11-12 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | | 主引用文献 | The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila.
J.Struct.Biol., 212, 2020
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5XVA
 | | Crystal Structure of PAK4 in complex with inhibitor CZH216 | | 分子名称: | ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | | 著者 | Zhao, F, Li, H. | | 登録日 | 2017-06-27 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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5XVG
 | | Crystal Structure of PAK4 in complex with inhibitor CZH226 | | 分子名称: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | | 著者 | Zhao, F, Li, H. | | 登録日 | 2017-06-27 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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5XVF
 | | Crystal Structure of PAK4 in complex with inhibitor CZH062 | | 分子名称: | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4 | | 著者 | Zhao, F, Li, H. | | 登録日 | 2017-06-27 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.655 Å) | | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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6UAI
 | | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Toth, E.A, Bryan, P.N, Orban, J. | | 登録日 | 2019-09-10 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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6UAO
 | | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ... | | 著者 | Toth, E.A, Bryan, P.N, Orban, J. | | 登録日 | 2019-09-11 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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6UBE
 | | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | | 分子名称: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | | 著者 | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | | 登録日 | 2019-09-11 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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6U9L
 | | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM | | 分子名称: | GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ... | | 著者 | Toth, E.A, Bryan, P.N, Orban, J. | | 登録日 | 2019-09-09 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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5TOE
 | | Pim-1 kinase in complex with a 7-azaindole | | 分子名称: | 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | | 著者 | Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D. | | 登録日 | 2016-10-17 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
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7T62
 | | GPC2 HEP CT3 complex | | 分子名称: | CT3, Glypican-2 | | 著者 | Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M. | | 登録日 | 2021-12-13 | | 公開日 | 2021-12-22 | | 実験手法 | ELECTRON MICROSCOPY (21 Å) | | 主引用文献 | CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
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8VB1
 | | Crystal structure of HIV-1 protease with GS-9770 | | 分子名称: | (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease | | 著者 | Lansdon, E.B. | | 登録日 | 2023-12-11 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
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6PE8
 | | Crystal structure of CD40/ABBV-323 FAB complex | | 分子名称: | FAB Heavy chain, FAB Light chain, SULFATE ION, ... | | 著者 | Argiriadi, M.A. | | 登録日 | 2019-06-20 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
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7XS8
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7XSC
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7XSA
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7XSB
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7JM5
 | | Crystal structure of KDM4B in complex with QC6352 | | 分子名称: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-07-31 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
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3CYT
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