7UUP
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![BU of 7uup by Molmil](/molmil-images/mine/7uup) | SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with Nirmatrelvir (PF-07321332) | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-04-28 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7U92
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![BU of 7u92 by Molmil](/molmil-images/mine/7u92) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-03-09 | 公開日 | 2023-09-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8EZV
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![BU of 8ezv by Molmil](/molmil-images/mine/8ezv) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-11-01 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8EZZ
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![BU of 8ezz by Molmil](/molmil-images/mine/8ezz) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-11-01 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8F2D
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![BU of 8f2d by Molmil](/molmil-images/mine/8f2d) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML4006a | 分子名称: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-11-07 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8F02
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![BU of 8f02 by Molmil](/molmil-images/mine/8f02) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-11-01 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8F2C
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![BU of 8f2c by Molmil](/molmil-images/mine/8f2c) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a | 分子名称: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | 登録日 | 2022-11-07 | 公開日 | 2023-10-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7XIV
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![BU of 7xiv by Molmil](/molmil-images/mine/7xiv) | Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein | 分子名称: | Nucleocapsid protein,Minor nucleoprotein VP30 | 著者 | Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y. | 登録日 | 2022-04-14 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | Structural insights into the interactions between lloviu virus VP30 and nucleoprotein. Biochem.Biophys.Res.Commun., 616, 2022
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8I60
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8IKH
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![BU of 8ikh by Molmil](/molmil-images/mine/8ikh) | Cryo-EM structure of human receptor with G proteins | 分子名称: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shen, S.Y, Shao, Z.H. | 登録日 | 2023-02-28 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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8IKG
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![BU of 8ikg by Molmil](/molmil-images/mine/8ikg) | Cryo-EM structure of human receptor with G proteins | 分子名称: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shen, S.Y, Shao, Z.H. | 登録日 | 2023-02-28 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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7FEE
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![BU of 7fee by Molmil](/molmil-images/mine/7fee) | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 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, ... | 著者 | Wang, X, Zhao, C, Shao, Z. | 登録日 | 2021-07-19 | 公開日 | 2022-06-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 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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7YAC
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![BU of 7yac by Molmil](/molmil-images/mine/7yac) | Paltusotine-bound SSTR2-Gi complex | 分子名称: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | 著者 | Zhao, J, Shao, Z. | 登録日 | 2022-06-27 | 公開日 | 2023-04-19 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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7YAE
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![BU of 7yae by Molmil](/molmil-images/mine/7yae) | Octreotide-bound SSTR2-Gi complex | 分子名称: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Zhao, J, Shao, Z. | 登録日 | 2022-06-28 | 公開日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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6XCJ
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![BU of 6xcj by Molmil](/molmil-images/mine/6xcj) | Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ... | 著者 | Raymond, D.D, Chug, H, Harrison, S.C. | 登録日 | 2020-06-08 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth. Science, 371, 2021
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6XRT
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4RWS
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![BU of 4rws by Molmil](/molmil-images/mine/4rws) | Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target) | 分子名称: | C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2 | 著者 | Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR) | 登録日 | 2014-12-05 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine. Science, 347, 2015
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7BRP
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7U6R
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4XXI
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![BU of 4xxi by Molmil](/molmil-images/mine/4xxi) | Crystal structure of the Bilin-binding domain of phycobilisome core-membrane linker ApcE | 分子名称: | PHYCOCYANOBILIN, Phycobiliprotein ApcE | 著者 | Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H. | 登録日 | 2015-01-30 | 公開日 | 2015-12-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore Proc.Natl.Acad.Sci.USA, 112, 2015
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4XXK
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![BU of 4xxk by Molmil](/molmil-images/mine/4xxk) | Crystal structure of the Semet-derivative of the Bilin-binding domain of phycobilisome core-membrane linker ApcE | 分子名称: | PHYCOCYANOBILIN, Phycobiliprotein ApcE | 著者 | Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H. | 登録日 | 2015-01-30 | 公開日 | 2015-12-16 | 最終更新日 | 2016-01-13 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore. Proc.Natl.Acad.Sci.USA, 112, 2015
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4YRB
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![BU of 4yrb by Molmil](/molmil-images/mine/4yrb) | mouse TDH mutant R180K with NAD+ bound | 分子名称: | L-threonine 3-dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | He, C, Li, F. | 登録日 | 2015-03-14 | 公開日 | 2016-02-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis J.Struct.Biol., 192, 2015
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4YRA
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![BU of 4yra by Molmil](/molmil-images/mine/4yra) | mouse TDH in the apo form | 分子名称: | L-threonine 3-dehydrogenase, mitochondrial | 著者 | He, C, Li, F. | 登録日 | 2015-03-14 | 公開日 | 2016-02-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis J.Struct.Biol., 192, 2015
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5YEI
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![BU of 5yei by Molmil](/molmil-images/mine/5yei) | Mechanistic insight into the regulation of Pseudomonas aeruginosa aspartate kinase | 分子名称: | Aspartokinase, GLYCEROL, LYSINE, ... | 著者 | Li, C, Yang, M, Liu, L, Peng, C, Li, T, He, L, Song, Y, Zhu, Y, Bao, R. | 登録日 | 2017-09-17 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Mechanistic insights into the allosteric regulation of Pseudomonas aeruginosa aspartate kinase. Biochem.J., 475, 2018
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4J3E
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![BU of 4j3e by Molmil](/molmil-images/mine/4j3e) | The 1.9A crystal structure of humanized Xenopus Mdm2 with nutlin-3a | 分子名称: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Graves, B.J, Lukacs, C.M, Kammlott, R.U, Crowther, R. | 登録日 | 2013-02-05 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development. ACS Med Chem Lett, 4, 2013
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