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7D7K
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BU of 7d7k by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in apo form
分子名称: 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ...
著者Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
登録日2020-10-04
公開日2021-04-21
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7D7L
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BU of 7d7l by Molmil
The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155
分子名称: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ...
著者Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H.
登録日2020-10-04
公開日2021-04-21
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
著者Cheng, L, Shao, Z.
登録日2020-03-26
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
8HIJ
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BU of 8hij by Molmil
The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8HII
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BU of 8hii by Molmil
The BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: BRIL-SLC19A1 chimera, anti-BRIL Fab heavy chain, anti-BRIL Fab light chain, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8HIK
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BU of 8hik by Molmil
The TPP-bound BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8FYG
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BU of 8fyg by Molmil
Crystal structure of Hyaluronate lyase A from Cutibacterium acnes
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Hyaluronate lyase
著者Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
登録日2023-01-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
8FNX
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BU of 8fnx by Molmil
Crystal structure of Hyaluronate lyase B from Cutibacterium acnes
分子名称: GLYCEROL, Hyaluronate lyase, PHOSPHATE ION
著者Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
登録日2022-12-28
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
8G0O
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BU of 8g0o by Molmil
Crystal structure of Y281F mutant of Hyaluronate lyase B from Cutibacterium acnes
分子名称: Hyaluronate lyase
著者Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
登録日2023-02-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
分子名称: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-30
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
分子名称: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-29
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
分子名称: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
著者Wang, C, Zhang, B.
登録日2022-04-06
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZP2
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BU of 7zp2 by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
分子名称: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-04-26
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZST
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BU of 7zst by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
分子名称: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ...
著者Wang, C, Zhang, B, Groves, M.R.
登録日2022-05-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022

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件を2024-07-24に公開中

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