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7PCU
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BU of 7pcu by Molmil
Crystal structure of YTHDF1 YTH domain in complex with ebselen
分子名称: N-phenyl-2-selanylbenzamide, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G.
登録日2021-08-04
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
7QKN
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BU of 7qkn by Molmil
Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ...
著者Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G.
登録日2021-12-18
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
7QL7
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BU of 7ql7 by Molmil
Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ...
著者Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G.
登録日2021-12-19
公開日2022-11-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
8PH4
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BU of 8ph4 by Molmil
Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H.
登録日2023-06-18
公開日2024-01-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
8R3D
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BU of 8r3d by Molmil
Crystal structure of Pent only at pH 8.8
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8R3B
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BU of 8r3b by Molmil
Cocrystal form I of the Pent - sulfonato-calix[8]arene complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
8R3C
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BU of 8r3c by Molmil
Cocrystal form II of the Pent - sulfonato-calix[8]arene complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
著者Flood, R.J, Crowley, P.B.
登録日2023-11-08
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
4GR8
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BU of 4gr8 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C
分子名称: CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR0
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BU of 4gr0 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470B
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(R)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-a lanyl-L-alaninamide, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GQL
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BU of 4gql by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-23
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR3
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BU of 4gr3 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
分子名称: CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
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