9LCR
 
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4UX4
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | | 分子名称: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | | 著者 | Haikarainen, T, Lehtio, L. | | 登録日 | 2014-08-19 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases.
Bioorg.Med.Chem., 23, 2015
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6RAV
 | | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | 分子名称: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-04-08 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5I1V
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4GJT
 | | complex structure of nectin-4 bound to MV-H | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein, Poliovirus receptor-related protein 4 | | 著者 | Zhang, X, Lu, G, Qi, J, Li, Y, He, Y, Xu, X, Shi, J, Zhang, C, Yan, J, Gao, G.F. | | 登録日 | 2012-08-10 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.1001 Å) | | 主引用文献 | Structure of measles virus hemagglutinin bound to its epithelial receptor nectin-4
Nat.Struct.Mol.Biol., 20, 2013
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5I1W
 | | Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis | | 分子名称: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde, 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol, CrmK, ... | | 著者 | Picard, M.-E, Barma, J, Shi, R. | | 登録日 | 2016-02-07 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis
to be published
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5H25
 | | EED in complex with PRC2 allosteric inhibitor compound 11 | | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-10-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
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5Z4Y
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6A7B
 | | AKR1C3 complexed with new inhibitor with novel scaffold | | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | 登録日 | 2018-07-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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5Z4Z
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6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | 登録日 | 2018-07-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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5Z50
 | | Crystal structure of PaCysB regulatory domain | | 分子名称: | Cys regulon transcriptional activator, GLYCEROL, SULFATE ION | | 著者 | Yang, C, Liang, H, Gan, J. | | 登録日 | 2018-01-15 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.206 Å) | | 主引用文献 | Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
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7EW5
 | | immune complex of HPV6 L1 pentamer and neutralizing antibody 13H5 | | 分子名称: | Heavy chain of 13H5, Light chain of 13H5, Major capsid protein L1 | | 著者 | Wang, Z.P, Wang, D.N, Gu, Y, Li, S.W. | | 登録日 | 2021-05-24 | | 公開日 | 2022-06-01 | | 最終更新日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (3.606 Å) | | 主引用文献 | Rational design of a cross-type HPV vaccine through immunodominance shift guided by a cross-neutralizing antibody.
Sci Bull (Beijing), 69, 2024
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7F8I
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3C4F
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3C4C
 | | B-Raf Kinase in Complex with PLX4720 | | 分子名称: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | | 著者 | Zhang, K.Y.J, Wang, W. | | 登録日 | 2008-01-29 | | 公開日 | 2008-02-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C4E
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5Y10
 | | SFTSV Gn head domain | | 分子名称: | Membrane glycoprotein polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5Y0Y
 | | RVFV GN-AU | | 分子名称: | GOLD ION, NSmGnGc | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.398 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5Y11
 | | SFTSV GN with neutralizing antibody MAb4-5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAb 4-5 heavy chain, MAb 4-5 light chain, ... | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6L69
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5Y0W
 | | The structure of RVFV Gn head domain | | 分子名称: | NSmGnGc | | 著者 | Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F. | | 登録日 | 2017-07-19 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | 分子名称: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | 登録日 | 2018-06-15 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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6ASG
 | | Crystal structure of Thermus thermophilus RNA polymerase core enzyme | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Liu, Y, Lin, W, Ying, R, Ebright, R.H. | | 登録日 | 2017-08-24 | | 公開日 | 2018-04-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
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8HQN
 | | Activation mechanism of GPR132 by 9(S)-HODE | | 分子名称: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, 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, ... | | 著者 | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | 登録日 | 2022-12-13 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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