5G6U
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![BU of 5g6u by Molmil](/molmil-images/mine/5g6u) | Crystal structure of langerin carbohydrate recognition domain with GlcNS6S | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | 著者 | Porkolab, V, Chabrol, E, Varga, N, Ordanini, S, Sutkeviciute, I, Thepaut, M, Bernardi, A, Fieschi, F. | 登録日 | 2016-07-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | Rational-Differential Design of Highly Specific Glycomimetic Ligands: Targeting DC-SIGN and Excluding Langerin Recognition. ACS Chem. Biol., 13, 2018
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2XR6
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![BU of 2xr6 by Molmil](/molmil-images/mine/2xr6) | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | 分子名称: | 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ... | 著者 | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | 登録日 | 2010-09-10 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design. Acs Chem.Biol., 9, 2014
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4WX4
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![BU of 4wx4 by Molmil](/molmil-images/mine/4wx4) | Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ... | 著者 | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | 登録日 | 2014-11-13 | 公開日 | 2015-01-14 | 最終更新日 | 2015-01-28 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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4WX7
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![BU of 4wx7 by Molmil](/molmil-images/mine/4wx7) | Crystal structure of adenovirus 8 protease with a nitrile inhibitor | 分子名称: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease | 著者 | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | 登録日 | 2014-11-13 | 公開日 | 2015-01-14 | 最終更新日 | 2015-01-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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4WX6
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![BU of 4wx6 by Molmil](/molmil-images/mine/4wx6) | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | 分子名称: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | 著者 | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | 登録日 | 2014-11-13 | 公開日 | 2015-01-14 | 最終更新日 | 2015-01-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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6GHV
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![BU of 6ghv by Molmil](/molmil-images/mine/6ghv) | Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. | 分子名称: | CALCIUM ION, CD209 antigen, CHLORIDE ION, ... | 著者 | Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F. | 登録日 | 2018-05-09 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis. Chemistry, 25, 2019
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2XR5
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![BU of 2xr5 by Molmil](/molmil-images/mine/2xr5) | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo dimannoside mimic. | 分子名称: | CALCIUM ION, CD209 ANTIGEN, CHLORIDE ION, ... | 著者 | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | 登録日 | 2010-09-10 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structure of a Glycomimetic Ligand in the Carbohydrate Recognition Domain of C-Type Lectin Dc-Sign. Structural Requirements for Selectivity and Ligand Design. J.Am.Chem.Soc., 135, 2013
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4PIS
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![BU of 4pis by Molmil](/molmil-images/mine/4pis) | Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor | 分子名称: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-09 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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4PIE
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![BU of 4pie by Molmil](/molmil-images/mine/4pie) | Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor | 分子名称: | ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ... | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-08 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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4PID
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![BU of 4pid by Molmil](/molmil-images/mine/4pid) | Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor | 分子名称: | ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ... | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-08 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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4PIQ
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![BU of 4piq by Molmil](/molmil-images/mine/4piq) | Crystal structure of human adenovirus 8 protease with a nitrile inhibitor | 分子名称: | N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide, PVI, Protease | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-09 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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6R0N
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![BU of 6r0n by Molmil](/molmil-images/mine/6r0n) | Histone fold domain of AtNF-YB2/NF-YC3 in I2 | 分子名称: | GLYCEROL, NF-YB2, NF-YC3 | 著者 | Chaves-Sanjuan, A, Gnesutta, N, Bernardini, A, Fornara, F, Nardini, M, Mantovani, R. | 登録日 | 2019-03-13 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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6R0M
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![BU of 6r0m by Molmil](/molmil-images/mine/6r0m) | Histone fold domain of AtNF-YB2/NF-YC3 in P212121 | 分子名称: | NF-YB2, NF-YC3 | 著者 | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | 登録日 | 2019-03-13 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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6R2V
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![BU of 6r2v by Molmil](/molmil-images/mine/6r2v) | Arabidopsis NF-Y/CCAAT-box complex | 分子名称: | FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ... | 著者 | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | 登録日 | 2019-03-19 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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8BRO
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![BU of 8bro by Molmil](/molmil-images/mine/8bro) | Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide | 分子名称: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin | 著者 | Varrot, A, Lunstrom, J. | 登録日 | 2022-11-23 | 公開日 | 2023-02-08 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia. Molecules, 28, 2023
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6ZZW
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![BU of 6zzw by Molmil](/molmil-images/mine/6zzw) | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1 | 分子名称: | Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ... | 著者 | Lal, K, Bermeo, R, Imberty, A, Varrot, A. | 登録日 | 2020-08-05 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*. Chemistry, 27, 2021
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7OLW
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![BU of 7olw by Molmil](/molmil-images/mine/7olw) | |
7OLU
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![BU of 7olu by Molmil](/molmil-images/mine/7olu) | |
7BFY
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![BU of 7bfy by Molmil](/molmil-images/mine/7bfy) | |
3V4O
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![BU of 3v4o by Molmil](/molmil-images/mine/3v4o) | |
3V4L
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![BU of 3v4l by Molmil](/molmil-images/mine/3v4l) | |
3V55
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![BU of 3v55 by Molmil](/molmil-images/mine/3v55) | |
6TIG
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![BU of 6tig by Molmil](/molmil-images/mine/6tig) | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen | 分子名称: | Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | 著者 | Varrot, A, Bermeo, R. | 登録日 | 2019-11-22 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information. Molecules, 25, 2020
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6TID
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3EDI
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![BU of 3edi by Molmil](/molmil-images/mine/3edi) | |