6M06
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![BU of 6m06 by Molmil](/molmil-images/mine/6m06) | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | 分子名称: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | 著者 | Hu, H.C, Xu, Y.C. | 登録日 | 2020-02-20 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
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5WHZ
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![BU of 5whz by Molmil](/molmil-images/mine/5whz) | PGDM1400-10E8v4 CODV Fab | 分子名称: | Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain | 著者 | Lord, D.M, Wei, R.R. | 登録日 | 2017-07-18 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.549 Å) | 主引用文献 | Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques. Science, 358, 2017
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7C7P
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![BU of 7c7p by Molmil](/molmil-images/mine/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 | 2023-11-29 | 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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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | 分子名称: | 3C-like proteinase, boceprevir (bound form) | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | 登録日 | 2020-08-04 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 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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6CCW
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7D3I
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![BU of 7d3i by Molmil](/molmil-images/mine/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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8X43
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![BU of 8x43 by Molmil](/molmil-images/mine/8x43) | human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | 分子名称: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | 著者 | Ma, D, Guo, J. | 登録日 | 2023-11-15 | 公開日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 2024
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8WIK
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![BU of 8wik by Molmil](/molmil-images/mine/8wik) | Crystal structure of human FSP1 | 分子名称: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Feng, S, Huang, X, Tang, D, Qi, S. | 登録日 | 2023-09-24 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide. MedComm (2020), 5, 2024
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7DSS
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![BU of 7dss by Molmil](/molmil-images/mine/7dss) | Complex of FMDV and M8 Nab | 分子名称: | M8 Nab, VP1 of O type FMDV capsid, VP2 of O-type FMDV capsid, ... | 著者 | Dong, H, Liu, P. | 登録日 | 2021-01-02 | 公開日 | 2021-03-31 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies. Protein Cell, 13, 2022
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7DST
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![BU of 7dst by Molmil](/molmil-images/mine/7dst) | FMDV capsid in complex with M170 Nab | 分子名称: | M170 Nab, VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, ... | 著者 | Dong, H, Liu, P. | 登録日 | 2021-01-02 | 公開日 | 2021-03-10 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies. Protein Cell, 13, 2022
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7DF1
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![BU of 7df1 by Molmil](/molmil-images/mine/7df1) | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | 分子名称: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | 著者 | Liu, X, Ding, J, Sui, J, Tian, X. | 登録日 | 2020-11-06 | 公開日 | 2022-12-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | 主引用文献 | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice. Nat Biomed Eng, 2022
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2JTK
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8I30
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![BU of 8i30 by Molmil](/molmil-images/mine/8i30) | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | 分子名称: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | 登録日 | 2023-01-16 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
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5YE9
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![BU of 5ye9 by Molmil](/molmil-images/mine/5ye9) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | 分子名称: | N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | 著者 | Liu, Q.F, Xu, Y.C. | 登録日 | 2017-09-15 | 公開日 | 2018-07-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.876 Å) | 主引用文献 | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5YE7
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![BU of 5ye7 by Molmil](/molmil-images/mine/5ye7) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | 分子名称: | N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | 著者 | Liu, Q.F, Xu, Y.C. | 登録日 | 2017-09-15 | 公開日 | 2018-07-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.312 Å) | 主引用文献 | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5YE8
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5YEA
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![BU of 5yea by Molmil](/molmil-images/mine/5yea) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | 分子名称: | 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid, Platelet-activating factor acetylhydrolase, SULFATE ION | 著者 | Liu, Q.F, Xu, Y.C. | 登録日 | 2017-09-15 | 公開日 | 2018-07-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.805 Å) | 主引用文献 | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5X5Y
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![BU of 5x5y by Molmil](/molmil-images/mine/5x5y) | A membrane protein complex | 分子名称: | Probable ATP-binding component of ABC transporter, Uncharacterized protein | 著者 | Luo, Q, Yang, X, Huang, Y. | 登録日 | 2017-02-18 | 公開日 | 2017-04-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.465 Å) | 主引用文献 | Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG Nat. Struct. Mol. Biol., 24, 2017
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5VOL
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![BU of 5vol by Molmil](/molmil-images/mine/5vol) | Bacint_04212 ferulic acid esterase | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, Putative esterase | 著者 | Koropatkin, N.M, Cann, I, Mackie, R.I. | 登録日 | 2017-05-03 | 公開日 | 2017-07-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Biochemical and Structural Analyses of Two Cryptic Esterases in Bacteroides intestinalis and their Synergistic Activities with Cognate Xylanases. J. Mol. Biol., 429, 2017
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7F7E
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![BU of 7f7e by Molmil](/molmil-images/mine/7f7e) | SARS-CoV-2 S protein RBD in complex with A5-10 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ... | 著者 | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | 登録日 | 2021-06-29 | 公開日 | 2022-02-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants. Emerg Microbes Infect, 11, 2022
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5YYL
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![BU of 5yyl by Molmil](/molmil-images/mine/5yyl) | Structure of Major Royal Jelly Protein 1 Oligomer | 分子名称: | (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 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 | Tian, W, Chen, Z. | 登録日 | 2017-12-10 | 公開日 | 2018-08-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Architecture of the native major royal jelly protein 1 oligomer. Nat Commun, 9, 2018
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1I17
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![BU of 1i17 by Molmil](/molmil-images/mine/1i17) | NMR STRUCTURE OF MOUSE DOPPEL 51-157 | 分子名称: | PRION-LIKE PROTEIN | 著者 | Mo, H, Moore, R.C, Cohen, F.E, Westaway, D, Prusiner, S.B, Wright, P.E, Dyson, H.J. | 登録日 | 2001-01-31 | 公開日 | 2001-03-07 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Two different neurodegenerative diseases caused by proteins with similar structures. Proc.Natl.Acad.Sci.USA, 98, 2001
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8I5B
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![BU of 8i5b by Molmil](/molmil-images/mine/8i5b) | Structure of human Nav1.7 in complex with bupivacaine | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wu, Q.R, Yan, N. | 登録日 | 2023-01-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8I5X
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![BU of 8i5x by Molmil](/molmil-images/mine/8i5x) | Structure of human Nav1.7 in complex with Vinpocetine | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Wu, Q.R, Yan, N. | 登録日 | 2023-01-26 | 公開日 | 2023-06-14 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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8I5Y
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![BU of 8i5y by Molmil](/molmil-images/mine/8i5y) | Structure of human Nav1.7 in complex with vixotrigine | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Wu, Q.R, Yan, N. | 登録日 | 2023-01-26 | 公開日 | 2023-06-14 | 最終更新日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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