8WC8
| Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex | 分子名称: | 2-(4-bromophenyl)ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | 登録日 | 2023-09-11 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design. Cell, 186, 2023
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8WC6
| Cryo-EM structure of the PEA-bound mTAAR1-Gs complex | 分子名称: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | 登録日 | 2023-09-11 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design. Cell, 186, 2023
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8WCC
| Cryo-EM structure of the CHA-bound mTAAR1 complex | 分子名称: | CYCLOHEXYLAMMONIUM ION, Trace amine-associated receptor 1 | 著者 | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | 登録日 | 2023-09-11 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design. Cell, 186, 2023
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8WC7
| Cryo-EM structure of the ZH8667-bound mTAAR1-Gs complex | 分子名称: | 2-[4-(3-fluorophenyl)phenyl]ethanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | 登録日 | 2023-09-11 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design. Cell, 186, 2023
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8WCB
| Cryo-EM structure of the CHA-bound mTAAR1-Gq complex | 分子名称: | CYCLOHEXYLAMMONIUM ION, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | 登録日 | 2023-09-11 | 公開日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design. Cell, 186, 2023
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6LIN
| Crystal structure of human PDK2 complexed with GM10030 | 分子名称: | 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Kang, J, Kim, J. | 登録日 | 2019-12-12 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds. Biochem.Biophys.Res.Commun., 527, 2020
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6LIO
| Crystal structure of human PDK2 complexed with GM67520 | 分子名称: | 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid, GLYCEROL, SULFATE ION, ... | 著者 | Kang, J, Kim, J. | 登録日 | 2019-12-12 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds. Biochem.Biophys.Res.Commun., 527, 2020
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6LIL
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6DUH
| Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6DUF
| Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a | 分子名称: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-06-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.963 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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8ACD
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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8ACL
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | 登録日 | 2022-07-05 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
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8B56
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | 分子名称: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | 著者 | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | 登録日 | 2022-09-21 | 公開日 | 2023-08-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.823 Å) | 主引用文献 | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. J.Med.Chem., 65, 2022
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7QHE
| Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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7QHD
| Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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6RUJ
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3WW6
| Crystal Structure of hen egg white lysozyme mutant N46D/D52S | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T. | 登録日 | 2014-06-17 | 公開日 | 2015-06-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme. Protein Sci., 25, 2016
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3WW5
| Crystal Structure of hen egg white lysozyme mutant N46E/D52S | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T. | 登録日 | 2014-06-17 | 公開日 | 2015-06-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme. Protein Sci., 25, 2016
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8FE8
| Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | 著者 | Rumrill, S, Ruiz, F.X, Arnold, E. | 登録日 | 2022-12-05 | 公開日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors. Commun Chem, 6, 2023
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8JGG
| CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22 | 分子名称: | BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | 登録日 | 2023-05-20 | 公開日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGB
| CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2 | 分子名称: | Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | 登録日 | 2023-05-20 | 公開日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGF
| CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | 分子名称: | BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | 登録日 | 2023-05-20 | 公開日 | 2024-01-10 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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2MBC
| Solution Structure of human holo-PRL-3 in complex with vanadate | 分子名称: | Protein tyrosine phosphatase type IVA 3 | 著者 | Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y. | 登録日 | 2013-07-29 | 公開日 | 2013-10-09 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3. Biochemistry, 53, 2014
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6C0K
| Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-01-01 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.958 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6CGF
| Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | 著者 | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | 登録日 | 2018-02-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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