8VQ4
 
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
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7BY6
 | | Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389 | | 分子名称: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ... | | 著者 | Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S. | | 登録日 | 2020-04-21 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.997 Å) | | 主引用文献 | Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
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5F4U
 | | HIV-1 gp120 complex with BNM-IV-197 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
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5F4R
 | | HIV-1 gp120 complex with BNW-IV-147 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ... | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
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5F4P
 | | HIV-1 gp120 complex with BNM-III-170 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
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5F4L
 | | HIV-1 gp120 complex with JP-III-048 | | 分子名称: | ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
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7DPI
 | | Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 | | 分子名称: | (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanine--tRNA ligase, ... | | 著者 | Manmohan, S, Malhotra, N, Harlos, K, Manickam, Y, Sharma, A. | | 登録日 | 2020-12-19 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.597 Å) | | 主引用文献 | Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development.
Structure, 30, 2022
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7LOK
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7LO6
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