3H59
 
 | | Hepatitis C virus polymerase NS5B with thiazine inhibitor 2 | | 分子名称: | N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | 著者 | Harris, S.F, Ghate, M. | | 登録日 | 2009-04-21 | | 公開日 | 2009-09-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009
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8W9W
 | | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine | | 分子名称: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | | 著者 | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | | 登録日 | 2023-09-06 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.74 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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8W9Y
 | | The cryo-EM structure of human sphingomyelin synthase-related protein | | 分子名称: | Sphingomyelin synthase-related protein 1 | | 著者 | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | | 登録日 | 2023-09-06 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.5 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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8WW2
 | | GPR3/Gs complex | | 分子名称: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | He, Y, Xiong, Y. | | 登録日 | 2023-10-24 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | | 主引用文献 | Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
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3CDE
 | | Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | | 分子名称: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | 登録日 | 2008-02-26 | | 公開日 | 2009-03-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
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8JSW
 | | Human VMAT2 complex with serotonin | | 分子名称: | SEROTONIN, Synaptic vesicular amine transporter | | 著者 | Jiang, D.H, Wu, D. | | 登録日 | 2023-06-20 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | | 主引用文献 | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JTA
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8JTC
 | | Human VMAT2 complex with reserpine | | 分子名称: | Synaptic vesicular amine transporter, reserpine | | 著者 | Jiang, D.H, Wu, D. | | 登録日 | 2023-06-21 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JT9
 | | Human VMAT2 complex with ketanserin | | 分子名称: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter | | 著者 | Jiang, D.H, Wu, D. | | 登録日 | 2023-06-21 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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7YQE
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2F5J
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9EQF
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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
 | | 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
 | | 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
 | | 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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5WSH
 | | Structure of HLA-A2 P130 | | 分子名称: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ... | | 著者 | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | | 登録日 | 2016-12-07 | | 公開日 | 2017-12-20 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress.
J. Virol., 92, 2018
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6WC5
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6WC2
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5DRO
 | | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRP
 | | Structure of the AaLpxC/LPC-023 Complex | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | | 著者 | Najeeb, J, Lee, C.-J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRR
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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8T5K
 | | Crystal structure of STING CTD in complex with BDW-OH | | 分子名称: | Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid | | 著者 | Li, Y, Li, P, Sun, D. | | 登録日 | 2023-06-13 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
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8T5L
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3H2L
 | | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | | 分子名称: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | | 著者 | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | | 登録日 | 2009-04-14 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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