8IJQ
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![BU of 8ijq by Molmil](/molmil-images/mine/8ijq) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide | 分子名称: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1 | 著者 | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | 登録日 | 2023-02-27 | 公開日 | 2024-02-28 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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7B92
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7B91
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8J3Z
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![BU of 8j3z by Molmil](/molmil-images/mine/8j3z) | Cryo-EM structure of ATP-U46619-bound ABCC4 | 分子名称: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, ... | 著者 | Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q. | 登録日 | 2023-04-18 | 公開日 | 2023-05-24 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | 主引用文献 | Cryo-EM structure ofABCC4 Nat Cardiovasc Res, 2023
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8JJO
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![BU of 8jjo by Molmil](/molmil-images/mine/8jjo) | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist | 分子名称: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562 | 著者 | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | 登録日 | 2023-05-31 | 公開日 | 2023-09-06 | 最終更新日 | 2024-01-03 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | A method for structure determination of GPCRs in various states. Nat.Chem.Biol., 20, 2024
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7FBS
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![BU of 7fbs by Molmil](/molmil-images/mine/7fbs) | structure of a channel | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jiang, D.J, Catterall, W.A. | 登録日 | 2021-07-12 | 公開日 | 2021-09-22 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Open-state structure and pore gating mechanism of the cardiac sodium channel. Cell, 184, 2021
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7EW3
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![BU of 7ew3 by Molmil](/molmil-images/mine/7ew3) | Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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 | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | 登録日 | 2021-05-24 | 公開日 | 2021-09-29 | 最終更新日 | 2022-02-16 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res., 32, 2022
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7D5L
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![BU of 7d5l by Molmil](/molmil-images/mine/7d5l) | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | 分子名称: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | 著者 | Ghosh, K, Anumula, R, Kumar, A. | 登録日 | 2020-09-26 | 公開日 | 2020-12-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 63, 2020
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8JHQ
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![BU of 8jhq by Molmil](/molmil-images/mine/8jhq) | Cryo-EM structure of human S1P transporter SPNS2 bound with S1P | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2,GlgA glycogen synthase | 著者 | Pang, B, Yu, L.Y, Ren, R.B. | 登録日 | 2023-05-25 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport. Cell Res., 34, 2024
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8IWK
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![BU of 8iwk by Molmil](/molmil-images/mine/8iwk) | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | 著者 | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | 登録日 | 2023-03-30 | 公開日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state To Be Published
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8IZ9
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![BU of 8iz9 by Molmil](/molmil-images/mine/8iz9) | cryo-EM structure of PGE1-bound hMRP4 | 分子名称: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid, ATP-binding cassette sub-family C member 4 | 著者 | Liu, Z.M, Huang, Y. | 登録日 | 2023-04-06 | 公開日 | 2024-04-10 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | cryo-EM structure of PGE1-bound hMRP4 To Be Published
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7D5O
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![BU of 7d5o by Molmil](/molmil-images/mine/7d5o) | C-Src in complex with TAS-120 | 分子名称: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | 著者 | Qu, L.Z, Chen, Y.H. | 登録日 | 2020-09-27 | 公開日 | 2021-12-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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7FJF
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![BU of 7fjf by Molmil](/molmil-images/mine/7fjf) | Cryo-EM structure of a membrane protein(CS) | 分子名称: | CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ... | 著者 | Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z. | 登録日 | 2021-08-03 | 公開日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility. Mol.Cell, 82, 2022
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7EVO
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![BU of 7evo by Molmil](/molmil-images/mine/7evo) | The cryo-EM structure of the human 17S U2 snRNP | 分子名称: | HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, RNA helicase, ... | 著者 | Zhang, X, Zhan, X, Shi, Y. | 登録日 | 2021-05-21 | 公開日 | 2022-08-03 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural insights into branch site proofreading by human spliceosome. Nat.Struct.Mol.Biol., 2024
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7EEB
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![BU of 7eeb by Molmil](/molmil-images/mine/7eeb) | Structure of the CatSpermasome | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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 | Wu, J.P, Ke, M. | 登録日 | 2021-03-18 | 公開日 | 2021-07-28 | 最終更新日 | 2021-08-11 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structure of a mammalian sperm cation channel complex. Nature, 595, 2021
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7E27
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![BU of 7e27 by Molmil](/molmil-images/mine/7e27) | Structure of PfFNT in complex with MMV007839 | 分子名称: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | 著者 | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | 登録日 | 2021-02-04 | 公開日 | 2021-08-18 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.29 Å) | 主引用文献 | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism. Plos Biol., 19, 2021
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7DVK
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7FLN
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![BU of 7fln by Molmil](/molmil-images/mine/7fln) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F09 from the F2X-Universal Library | 分子名称: | (5R)-2,7-diazaspiro[4.5]dec-1-en-3-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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7FPI
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![BU of 7fpi by Molmil](/molmil-images/mine/7fpi) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10C11 from the F2X-Universal Library | 分子名称: | A1 cistron-splicing factor AAR2, N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea, Pre-mRNA-splicing factor 8 | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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8ETO
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![BU of 8eto by Molmil](/molmil-images/mine/8eto) | Co-crystal structure of Chaetomium glucosidase with compound 25 | 分子名称: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Karade, S.S, Mariuzza, R.A. | 登録日 | 2022-10-17 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
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8EOI
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![BU of 8eoi by Molmil](/molmil-images/mine/8eoi) | Structure of a human EMC:human Cav1.2 channel complex in GDN detergent | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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 | Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L. | 登録日 | 2022-10-03 | 公開日 | 2023-05-24 | 最終更新日 | 2023-07-26 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | EMC chaperone-Ca V structure reveals an ion channel assembly intermediate. Nature, 619, 2023
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8EX6
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![BU of 8ex6 by Molmil](/molmil-images/mine/8ex6) | Human S1P transporter Spns2 in an inward-facing open conformation (state 1*) | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | 著者 | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | 登録日 | 2022-10-24 | 公開日 | 2023-05-31 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
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8EX4
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![BU of 8ex4 by Molmil](/molmil-images/mine/8ex4) | Human S1P transporter Spns2 in an inward-facing open conformation (state 1) | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | 著者 | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | 登録日 | 2022-10-24 | 公開日 | 2023-05-31 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate. Cell, 186, 2023
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8FO4
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8FY7
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![BU of 8fy7 by Molmil](/molmil-images/mine/8fy7) | SARS-CoV-2 main protease in complex with covalent inhibitor | 分子名称: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | 著者 | Fried, W, Chen, X.S. | 登録日 | 2023-01-25 | 公開日 | 2023-08-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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