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8ECR
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BU of 8ecr by Molmil
KRAS4b WT 1-185 bound to GDP-Mg2+
分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Betts, L, Rossman, K.L.
登録日2022-09-02
公開日2023-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献KRAS4b WT 1-185 bound to GDP-Mg2+
To Be Published
5QH4
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BU of 5qh4 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000220a
分子名称: 2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
7QZJ
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BU of 7qzj by Molmil
1.55 A X-ray crystallographic structure of SapH from Streptomyces sp. (HPH0547) involved in Pseudouridimycin biosynthesis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, GLYCEROL, ...
著者Schnell, R, Schneider, G.
登録日2022-01-31
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Pseudouridine-Modifying Enzymes SapB and SapH Control Entry into the Pseudouridimycin Biosynthetic Pathway.
Acs Chem.Biol., 18, 2023
5QGJ
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BU of 5qgj by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000706a
分子名称: 2-ethyl-N-(2-hydroxyphenyl)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGW
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BU of 5qgw by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000154
分子名称: 2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHC
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BU of 5qhc by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-337
分子名称: 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
1O0O
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BU of 1o0o by Molmil
Ribonuclease A in complex with adenosine-2',5'-diphosphate
分子名称: ADENOSINE-2'-5'-DIPHOSPHATE, Ribonuclease pancreatic
著者Leonidas, D.D, Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Vlassi, M.
登録日2003-02-24
公開日2003-12-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors
PROTEIN SCI., 12, 2003
2P38
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BU of 2p38 by Molmil
Crystal Structure of Pyrococcus Abyssi Protein Homologue of Saccharomyces Cerevisiae NIP7P
分子名称: Protein involved in ribosomal biogenesis
著者Guimaraes, B.G, Coltri, P.P, Oliveira, C.C, Zanchin, N.I.T.
登録日2007-03-08
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the Interaction of the Nip7 PUA Domain with Polyuridine RNA
Biochemistry, 46, 2007
5QGV
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BU of 5qgv by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with UNUYB062989
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH9
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BU of 5qh9 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102716
分子名称: 1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one, ACETATE ION, Peroxisomal coenzyme A diphosphatase NUDT7
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGI
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BU of 5qgi by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000710a
分子名称: 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGT
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BU of 5qgt by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000609a
分子名称: 1-(2-ethoxyphenyl)piperazine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH8
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BU of 5qh8 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102558
分子名称: 1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one, ACETATE ION, Peroxisomal coenzyme A diphosphatase NUDT7
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
6YSU
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BU of 6ysu by Molmil
Structure of the P+0 ArfB-ribosome complex in the post-hydrolysis state
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2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
7RTS
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BU of 7rts by Molmil
Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 without the AE interface
分子名称: Disease resistance protein RUN1, SULFATE ION
著者Burdett, H, Kobe, B.
登録日2021-08-15
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Self-association configures the NAD + -binding site of plant NLR TIR domains
Biorxiv, 2021
7XZ2
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BU of 7xz2 by Molmil
TRIM E3 ubiquitin ligase
分子名称: Tripartite motif-containing protein 72, ZINC ION
著者Park, S.H, Song, H.K.
登録日2022-06-02
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure and activation of the RING E3 ubiquitin ligase TRIM72 on the membrane.
Nat.Struct.Mol.Biol., 30, 2023
7RX1
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BU of 7rx1 by Molmil
Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1
分子名称: Disease resistance protein RUN1, SULFATE ION
著者Burdett, H, Kobe, B.
登録日2021-08-21
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Self-association configures the NAD + -binding site of plant NLR TIR domains
Biorxiv, 2021
8I5E
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BU of 8i5e by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK)
分子名称: Beta-2-microglobulin, KRAS-G12wt-9, MHC class I antigen (Fragment)
著者Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F.
登録日2023-01-25
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
7N2U
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BU of 7n2u by Molmil
Elongating 70S ribosome complex in a hybrid-H1 pre-translocation (PRE-H1) conformation
分子名称: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
著者Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C.
登録日2021-05-29
公開日2021-07-14
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
7S2Z
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BU of 7s2z by Molmil
Crystal structure of the E100A mutant TIR domain from the grapevine disease resistance protein RUN1 bound to NAD
分子名称: Disease resistance protein RUN1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Burdett, H, Kobe, B.
登録日2021-09-04
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Self-association configures the NAD + -binding site of plant NLR TIR domains
Biorxiv, 2021
1QOI
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BU of 1qoi by Molmil
U4/U6 snRNP-specific cyclophilin SnuCyp-20
分子名称: SNUCYP-20
著者Reidt, U, Reuter, K, Achsel, T, Ingelfinger, D, Luehrmann, R, Ficner, R.
登録日1999-11-09
公開日2000-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Human U4/U6 Small Nuclear Ribonucleoproteinparticle-Specificsnucyp-20, a Nuclear Cyclophilin
J.Biol.Chem., 275, 2000
7N1P
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BU of 7n1p by Molmil
Elongating 70S ribosome complex in a classical pre-translocation (PRE-C) conformation
分子名称: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
著者Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, S.K, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C.
登録日2021-05-28
公開日2021-07-14
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
4DVQ
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BU of 4dvq by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone
分子名称: Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ...
著者Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
登録日2012-02-23
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
8IJW
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BU of 8ijw by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-06
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-02-28
公開日2023-08-30
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
8IJX
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BU of 8ijx by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-18
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-02-28
公開日2023-08-30
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023

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