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PDB: 17068 件

7TIV
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Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48
分子名称: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TQL
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CryoEM structure of the human 40S small ribosomal subunit in complex with translation initiation factors eIF1A and eIF5B.
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Lapointe, C.P, Grosely, R, Sokabe, M, Alvarado, C, Wang, J, Montabana, E, Villa, N, Shin, B, Dever, T, Fraser, C, Fernandez, I.S, Puglisi, J.D.
登録日2022-01-26
公開日2022-04-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献eIF5B and eIF1A reorient initiator tRNA to allow ribosomal subunit joining.
Nature, 607, 2022
7TIY
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Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48
分子名称: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIU
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Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46
分子名称: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIZ
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Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63
分子名称: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIW
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Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54
分子名称: (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION
著者Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2022-01-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
6Z9J
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Escherichia coli D-2-deoxyribose-5-phosphate aldolase - N21K mutant
分子名称: Deoxyribose-phosphate aldolase, MAGNESIUM ION
著者Paakkonen, J, Hakulinen, N, Rouvinen, J.
登録日2020-06-04
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods.
Appl.Microbiol.Biotechnol., 104, 2020
6Z9P
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Transcription termination intermediate complex 1
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Said, N, Hilal, T, Loll, B, Wahl, M.C.
登録日2020-06-04
公開日2020-11-04
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
6Z9B
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Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N, Scaletti, E.
登録日2020-06-03
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
6Z9Q
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Transcription termination intermediate complex 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ...
著者Said, N, Hilal, T, Loll, B, Wahl, M.C.
登録日2020-06-04
公開日2020-11-04
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
6ZFN
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Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with 1-methyl alpha-1,2-mannobiose
分子名称: Glycoprotein endo-alpha-1,2-mannosidase, SULFATE ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
著者Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
登録日2020-06-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Z8F
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Human Picobirnavirus D45-CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-16
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
7U1M
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Crystal structure of NTMT1 in complex with compound YD206
分子名称: (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Yadav, R, Noinaj, N.
登録日2022-02-21
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner.
J.Med.Chem., 65, 2022
7U0H
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State NE1 nucleolar 60S ribosome biogenesis intermediate - Overall model
分子名称: 25S rRNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, 5.8S rRNA, ...
著者Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P.
登録日2022-02-18
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
6Z9H
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Escherichia coli D-2-deoxyribose-5-phosphate aldolase - C47V/G204A/S239D mutant
分子名称: 1,2-ETHANEDIOL, Deoxyribose-phosphate aldolase, FORMIC ACID, ...
著者Paakkonen, J, Hakulinen, N, Rouvinen, J.
登録日2020-06-04
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods.
Appl.Microbiol.Biotechnol., 104, 2020
6YSR
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Structure of the P+9 stalled ribosome complex
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
登録日2020-04-23
公開日2020-08-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6YXQ
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Crystal structure of a DNA repair complex ASCC3-ASCC2
分子名称: Activating signal cointegrator 1 complex subunit 2, Activating signal cointegrator 1 complex subunit 3
著者Jia, J, Absmeier, E, Holton, N, Bohnsack, K.E, Pietrzyk-Brzezinska, A.J, Bohnsack, M.T, Wahl, M.C.
登録日2020-05-03
公開日2020-09-30
最終更新日2020-11-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The interaction of DNA repair factors ASCC2 and ASCC3 is affected by somatic cancer mutations.
Nat Commun, 11, 2020
6Z8D
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Human Picobirnavirus CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-23
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
6Z9F
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1.56 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope
分子名称: Ferritin heavy chain, SODIUM ION
著者Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H.
登録日2020-06-03
公開日2020-06-24
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (1.56 Å)
主引用文献Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
6ZCA
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Structure of the B. subtilis RNA POLYMERASE in complex with HelD (monomer)
分子名称: DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C.
登録日2020-06-10
公開日2020-10-14
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The delta subunit and NTPase HelD institute a two-pronged mechanism for RNA polymerase recycling.
Nat Commun, 11, 2020
7TKW
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Crystal structure of R14A human Galectin-7 mutant
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2022-01-17
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of R14A human Galectin-7 mutant
To Be Published
7TKX
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Crystal structure of R14A human Galectin-7 mutant in presence of 4-O-beta-D-Galactopyranosyl-D-glucose
分子名称: (2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal, 1,2-ETHANEDIOL, ...
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2022-01-17
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of R14A human Galectin-7 mutant in presence of 4-O-beta-D-Galactopyranosyl-D-glucose
To Be Published
7TKY
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Crystal structure of D94A human Galectin-7 mutant
分子名称: GLYCEROL, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2022-01-17
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structure of D94A human Galectin-7 mutant
To Be Published
6Z9S
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Transcription termination intermediate complex 4
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ...
著者Said, N, Hilal, T, Loll, B, Wahl, M.C.
登録日2020-06-04
公開日2020-11-04
最終更新日2021-02-03
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
7TKZ
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Crystal structure of D94A human Galectin-7 mutant in presence of lactose
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galectin-7, ...
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2022-01-17
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of D94A human Galectin-7 mutant in presence of lactose
To Be Published

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件を2024-08-28に公開中

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