PDB: 2156 件ウェブページステータス検索Chemie searchBIRD

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7TF2	Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I 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 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (3.62 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TF0	Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human 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, Processed angiotensin-converting enzyme 2, ... 著者 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-11-13 実験手法 ELECTRON MICROSCOPY (3.02 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TF4	Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein (focused refinement of RBD) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein 著者 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (3.01 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TEX	Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human 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, Processed angiotensin-converting enzyme 2, ... 著者 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (3.27 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TF3	Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484A 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 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-10-30 実験手法 ELECTRON MICROSCOPY (2.25 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TF5	Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) 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 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (3.16 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TF1	Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein (focused refinement of RBD) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein 著者 Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. 登録日 2022-01-06 公開日 2022-03-30 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (3.57 Å) 主引用文献 Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
7TEH	Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Kovalevsky, A, Kneller, D.W, Coates, L. 登録日 2022-01-05 公開日 2022-03-02 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
7TEL	SARS-CoV-2 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-N-(3-chloro-5-fluorobenzyl)-2-(isoquinolin-4-yl)acetamide 分子名称: 3C-like proteinase, N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide 著者 Goins, C.M, Stauffer, S.R. 登録日 2022-01-05 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole Med.Chem.Res., 2023
7TEK	SARS-CoV-2 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-N-(3-chlorobenzyl)-2-(pyridin-3-yl)acetamide 分子名称: 3C-like proteinase, N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide 著者 Goins, C.M, Stauffer, S.R. 登録日 2022-01-05 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole Med.Chem.Res., 2023
7TE0	Structure of the SARS-CoV-2 main protease in complex with inhibitor 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 著者 Yang, K.S, Liu, W.R. 登録日 2022-01-03 公開日 2022-01-12 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir. J.Med.Chem., 65, 2022
7TDU	Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase 著者 Kovalevsky, A, Kneller, D.W, Coates, L. 登録日 2022-01-03 公開日 2022-03-02 最終更新日 2024-10-23 実験手法 NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION 主引用文献 Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
7WHC	Crystal structure of SARS-CoV-2 3CLpro catalytic domain 分子名称: 3C-like proteinase nsp5 著者 Shin, D.H, Jo, S.R. 登録日 2021-12-30 公開日 2022-06-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.269 Å) 主引用文献 Dimerization Tendency of 3CLpros of Human Coronaviruses Based on the X-ray Crystal Structure of the Catalytic Domain of SARS-CoV-2 3CLpro. Int J Mol Sci, 23, 2022
7WEV	SARS-COV-2 BETA VARIANT SPIKE PROTEIN IN TRANSITION STATE 分子名称: Spike glycoprotein 著者 Xu, C, Cong, Y. 登録日 2021-12-24 公開日 2022-01-26 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM. Nat Commun, 12, 2021
7TC4	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 15/16 分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 15/16 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-22 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7TBT	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 13/14 分子名称: 3C-like proteinase, Nonstructural protein 13/14 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-22 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7TAS	SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (local refinement of the RBD and S2K146) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, S2K146 Fab light chain, ... 著者 Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-12-21 公開日 2022-01-12 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry. Science, 375, 2022
7TAT	SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (two receptor-binding domains open) 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, S2K146 Fab heavy chain, ... 著者 Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. 登録日 2021-12-21 公開日 2022-01-12 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry. Science, 375, 2022
7TAU	Refined capsid structure of human adenovirus D26 at 3.4 A resolution 分子名称: Fiber, Hexon protein, PIX, ... 著者 Reddy, V.S, Yu, X, Barry, M.A. 登録日 2021-12-21 公開日 2022-03-16 最終更新日 2024-02-28 実験手法 ELECTRON MICROSCOPY (3.38 Å) 主引用文献 Refined Capsid Structure of Human Adenovirus D26 at 3.4 angstrom Resolution. Viruses, 14, 2022
7TB2	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 12/13 分子名称: 3C-like proteinase, Nonstructural protein 12/13 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-21 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7T9W	Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2 分子名称: CHLORIDE ION, GLYCEROL, Papain-like protease nsp3 著者 Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2021-12-20 公開日 2021-12-29 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2 To Be Published
7QLF	Conformational ensemble of solnatide in solution 分子名称: Tumor necrosis factor 著者 Macias, M.J, Martin-Malpartida, P. 登録日 2021-12-20 公開日 2022-06-08 最終更新日 2024-10-23 実験手法 SOLUTION NMR 主引用文献 Conformational ensemble of the TNF-derived peptide solnatide in solution. Comput Struct Biotechnol J, 20, 2022
7TA4	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 9/10 分子名称: 3C-like proteinase, Nonstructural protein 9/10 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-20 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7T9Y	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 8/9 分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 8/9 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-20 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022
7TA7	Co-crystal structure of SARS-CoV-2 Mpro C145A with substrate peptide 10/11 分子名称: 3C-like proteinase, GLYCEROL, Nonstructural protein 10/11 著者 Shaqra, A.M, Schiffer, C.A. 登録日 2021-12-20 公開日 2022-06-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun, 13, 2022

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