5X5P
 
 | | Human serum transferrin bound to ruthenium NTA | | 分子名称: | FE (III) ION, MALONATE ION, NITRILOTRIACETIC ACID, ... | | 著者 | Sun, H, Wang, M. | | 登録日 | 2017-02-17 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
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7XAF
 | | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | | 分子名称: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | | 著者 | Zhang, Z.M, Wang, Y.J. | | 登録日 | 2022-03-17 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.001182 Å) | | 主引用文献 | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
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7CRP
 | | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (1:1 binding mode) | | 分子名称: | DNA (168-MER), Histone H2A, Histone H2B, ... | | 著者 | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | 登録日 | 2020-08-14 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CWL
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7WV9
 | | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | | 分子名称: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | | 著者 | Xu, Z, Shao, Z. | | 登録日 | 2022-02-10 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
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7CRO
 | | NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP | | 分子名称: | DNA (168-MER), Histone H2A, Histone H2B, ... | | 著者 | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | 登録日 | 2020-08-14 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | | 主引用文献 | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CWM
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5XPD
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5YC6
 | | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | | 分子名称: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | | 著者 | Jiang, L.G, Zhang, X, Huang, M.D. | | 登録日 | 2017-09-06 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
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8J7C
 | | Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.88A with an arsenic ion bound at Cys57 | | 分子名称: | ARSENIC, Triosephosphate isomerase | | 著者 | Kuaprasert, B, Attarataya, J, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Choowongkomon, K, Leartsakulpanich, U. | | 登録日 | 2023-04-27 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors
To be published
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8JT8
 | | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Chen, Z, Fan, L, Wang, S. | | 登録日 | 2023-06-21 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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8JT6
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | 分子名称: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | 登録日 | 2023-06-21 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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7YDQ
 | | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | | 分子名称: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | | 著者 | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | | 登録日 | 2022-07-04 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (4.04 Å) | | 主引用文献 | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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5WTD
 | | Structure of human serum transferrin bound ruthenium at N-lobe | | 分子名称: | FE (III) ION, MALONATE ION, RUTHENIUM ION, ... | | 著者 | Sun, H, Wang, M, Lai, T.P, Zhang, H, Hao, Q. | | 登録日 | 2016-12-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
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7WN0
 | | Structure of PfENT1(Y190A) in complex with nanobody 19 | | 分子名称: | Equilibrative nucleoside/nucleobase transporter, nanobody19 | | 著者 | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | | 登録日 | 2022-01-17 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | | 主引用文献 | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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7WN1
 | | Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine | | 分子名称: | Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48 | | 著者 | Wang, C, Deng, D, Ren, R.B, Yu, L.Y. | | 登録日 | 2022-01-17 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | | 主引用文献 | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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5YC7
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7Y4T
 | | Crystal structure of cMET kinase domain bound by compound 9I | | 分子名称: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | | 著者 | Qu, L.Z, Chen, Y.H. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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7Y4U
 | | Crystal structure of cMET kinase domain bound by compound 9Y | | 分子名称: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | | 著者 | Qu, L.Z, Chen, Y.H. | | 登録日 | 2022-06-16 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
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7CRR
 | | Native NSD3 bound to 187-bp nucleosome | | 分子名称: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | | 著者 | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | 登録日 | 2020-08-14 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | | 主引用文献 | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CWN
 | | P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein | | 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, N, Wang, X. | | 登録日 | 2020-08-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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7FI4
 | | Structure of AcrIF13 | | 分子名称: | AcrIF13 | | 著者 | Feng, Y, Gao, T. | | 登録日 | 2021-07-30 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
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7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | 登録日 | 2020-05-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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8WD0
 | | Crystal structure of T2R-TTL-Erianin complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ... | | 著者 | Yang, J. | | 登録日 | 2023-09-14 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance
Bioorg.Chem., 150, 2024
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7D3I
 | | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | | 分子名称: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | | 著者 | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | | 登録日 | 2020-09-19 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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