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8PVT
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BU of 8pvt by Molmil
Manganese-dependent transcriptional repressor DR2539 complexed with cadmium (SAD 7 keV)
分子名称: CADMIUM ION, Iron dependent repressor, putative
著者Mota, C, De Sanctis, D.
登録日2023-07-18
公開日2024-05-08
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 291, 2024
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PTI
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BU of 8pti by Molmil
CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
登録日1990-12-17
公開日1991-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 220, 1991
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PQX
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BU of 8pqx by Molmil
p97 (VCP) mutant - F539A state III
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
登録日2023-07-12
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献p97 (VCP) mutant - F539A state III
To Be Published
7BOM
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BU of 7bom by Molmil
Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr immobilized with gold ions.
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T.
登録日2020-03-19
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage
Chem Lett., 49, 2021
8D04
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BU of 8d04 by Molmil
Hallucinated C2 protein assembly HALC2_062
分子名称: HALC2_062
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8D07
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BU of 8d07 by Molmil
Hallucinated C3 protein assembly HALC3_109
分子名称: HALC3_109
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
7BX7
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BU of 7bx7 by Molmil
Cryo-EM structure of amyloid fibril formed by hnRNPA1 low complexity domain
分子名称: Heterogeneous nuclear ribonucleoprotein A1
著者Sun, Y.P, Zhao, K, Liu, C, Li, D.
登録日2020-04-17
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The nuclear localization sequence mediates hnRNPA1 amyloid fibril formation revealed by cryoEM structure.
Nat Commun, 11, 2020
8PO3
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BU of 8po3 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8D05
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BU of 8d05 by Molmil
Hallucinated C2 protein assembly HALC2_065
分子名称: HALC2_065
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
8D08
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BU of 8d08 by Molmil
Hallucinated C4 protein assembly HALC4_135
分子名称: HALC4_135
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
8PEW
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BU of 8pew by Molmil
Rho-ATPgS-Psu complex II
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Polarity suppression protein, ...
著者Gjorgjevikj, D, Wahl, M.C, Hilal, T, Loll, B.
登録日2023-06-15
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Rho-ATPgS-Psu complex II
To Be Published
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8D03
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BU of 8d03 by Molmil
Hallucinated C2 protein assembly HALC2_068
分子名称: HALC2_068
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8PEL
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BU of 8pel by Molmil
Structure of C. thermophilum RNA exosome core
分子名称: Exoribonuclease phosphorolytic domain-containing protein, Exoribonuclease-like protein, Exosome complex component MTR3, ...
著者Lazzaretti, D, Holdermann, I, Sprangers, R.
登録日2023-06-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (3.81 Å)
主引用文献Beyond static structures: quantitative dynamics in the eukaryotic RNA exosome complex
Biorxiv, 2024
8D09
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BU of 8d09 by Molmil
Hallucinated C4 protein assembly HALC4_136
分子名称: HALC4_136
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8PFR
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BU of 8pfr by Molmil
Mouse RPL39L integrated into the yeast 60S ribosomal subunit
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
登録日2023-06-16
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Mouse RPL39L integrated into the yeast 60S ribosomal subunit
To Be Published
8D06
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BU of 8d06 by Molmil
Hallucinated C3 protein assembly HALC3_104
分子名称: HALC3_104
著者Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D.
登録日2022-05-25
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Hallucinating symmetric protein assemblies.
Science, 378, 2022
8PEX
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BU of 8pex by Molmil
Rho P167L-ATPgS-Psu complex I
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Polarity suppression protein, ...
著者Gjorgjevikj, D, Wahl, M.C, Hilal, T, Loll, B.
登録日2023-06-15
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Rho P167L-ATPgS-Psu complex I
To Be Published
7C1H
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BU of 7c1h by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA
分子名称: Non-ribosomal peptide synthetase modules
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-04
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021

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