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PDB: 45855 件

7GBY
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BU of 7gby by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-5 (Mpro-x10473)
分子名称: (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBJ
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BU of 7gbj by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-32 (Mpro-x10355)
分子名称: 3C-like proteinase, 7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCB
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BU of 7gcb by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-13 (Mpro-x10565)
分子名称: 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GC0
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BU of 7gc0 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-21 (Mpro-x10476)
分子名称: (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCR
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BU of 7gcr by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with WAR-XCH-72a8c209-5 (Mpro-x10728)
分子名称: 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7A6T
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BU of 7a6t by Molmil
Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase in complex with NAD and spermidine
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Deoxyhypusine synthase, ...
著者Wator, E, Wilk, P, Grudnik, P.
登録日2020-08-26
公開日2022-03-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
7GCG
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BU of 7gcg by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-21 (Mpro-x10606)
分子名称: 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GCX
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BU of 7gcx by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-24 (Mpro-x10801)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GD5
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BU of 7gd5 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-d2866bdf-1 (Mpro-x10876)
分子名称: 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.809 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GD4
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BU of 7gd4 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-c59291d4-2 (Mpro-x10871)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
8T76
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SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 3 bp R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-06-19
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8SPQ
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SpRY-Cas9:gRNA complex targeting TGG PAM DNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-05-03
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
7TJ5
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BU of 7tj5 by Molmil
SthK closed state, cAMP-bound in the presence of POPA
分子名称: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ...
著者Schmidpeter, P.A, Nimigean, C.M.
登録日2022-01-14
公開日2022-10-26
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Nat.Struct.Mol.Biol., 29, 2022
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
著者Leonard, P.G, Hicks, K.G, Rutter, J.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
8T6P
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SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 2 bp R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-06-16
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
7TKT
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SthK closed state, cAMP-bound in the presence of detergent
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ...
著者Rheinberger, J, Schmidpeter, P.A, Nimigean, C.M.
登録日2022-01-17
公開日2022-10-26
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Nat.Struct.Mol.Biol., 29, 2022
8T6Y
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SpRY-Cas9:gRNA complex bound to non-target DNA with 1 bp R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-06-19
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8SRS
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BU of 8srs by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-05-06
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6O
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BU of 8t6o by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 0 bp R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-06-16
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
7TJ6
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BU of 7tj6 by Molmil
SthK open state, cAMP-bound in the presence of POPA
分子名称: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ...
著者Schmidpeter, P.A, Nimigean, C.M.
登録日2022-01-14
公開日2022-10-26
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Anionic lipids unlock the gates of select ion channels in the pacemaker family.
Nat.Struct.Mol.Biol., 29, 2022
7AST
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BU of 7ast by Molmil
Apo Human RNA Polymerase III
分子名称: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
著者Ramsay, E.P, Abascal-Palacios, G, Daiss, J.L, King, H, Gouge, J, Pilsl, M, Beuron, F, Morris, E, Gunkel, P, Engel, C, Vannini, A.
登録日2020-10-28
公開日2020-12-23
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of human RNA polymerase III.
Nat Commun, 11, 2020
7TQQ
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Structure of human TREX1-DNA complex
分子名称: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*GP*GP*CP*CP*AP*TP*C)-3'), Three-prime repair exonuclease 1
著者Zhou, W, Richmond-Buccola, D, Kranzusch, P.J.
登録日2022-01-26
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
8T6T
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SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 13 bp R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-06-18
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8T6S
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BU of 8t6s by Molmil
SpRY-Cas9:gRNA complex targeting TAC PAM DNA with 10 bp R-loop
分子名称: CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-06-18
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
8SQH
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BU of 8sqh by Molmil
SpRY-Cas9:gRNA complex targeting TTC PAM DNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ...
著者Hibshman, G.N, Bravo, J.P.K, Taylor, D.W.
登録日2023-05-04
公開日2024-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024

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件を2024-08-07に公開中

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