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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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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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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8Q71
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | | 登録日 | 2023-08-15 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.322 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
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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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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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4OV9
 | | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | | 分子名称: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | | 登録日 | 2014-02-20 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
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7LKI
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6ZEU
 | | Crystal structure of proteinase K lamella by electron diffraction with a 50 micrometre C2 condenser aperture | | 分子名称: | CALCIUM ION, Proteinase K | | 著者 | Evans, G, Zhang, P, Beale, E.V, Waterman, D.G. | | 登録日 | 2020-06-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.004 Å) | | 主引用文献 | A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
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7XTQ
 | | Cryo-EM structure of the R399-bound GPBAR-Gs complex | | 分子名称: | G-protein coupled bile acid receptor 1, 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 | Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P. | | 登録日 | 2022-05-17 | | 公開日 | 2022-07-06 | | 最終更新日 | 2022-08-03 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YJB
 | | Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA and Eriodictyol | | 分子名称: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, chalcone synthase 1 (ScCHS1) | | 著者 | Li, J.X, Cheng, A.X, Zhang, P. | | 登録日 | 2022-07-19 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular and structural characterization of a promiscuous chalcone synthase from the fern species Stenoloma chusanum.
J Integr Plant Biol, 64, 2022
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7YJ6
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7YJ9
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7YJA
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7YJ8
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7YJ5
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7YJ7
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6K9L
 | | 4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase | | 分子名称: | Serine-protein kinase ATM | | 著者 | Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y. | | 登録日 | 2019-06-16 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | | 主引用文献 | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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6KVL
 | | Crystal structure of UDP-RebB-SrUGT76G1 | | 分子名称: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | 著者 | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | 登録日 | 2019-09-04 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | | 主引用文献 | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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6KVI
 | | Crystal structure of UDP-SrUGT76G1 | | 分子名称: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | 著者 | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | 登録日 | 2019-09-04 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | | 主引用文献 | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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6KVJ
 | | Crystal structure of UDPX-SrUGT76G1 | | 分子名称: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE | | 著者 | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | 登録日 | 2019-09-04 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.499 Å) | | 主引用文献 | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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6KVK
 | | Crystal structure of UDP-Sm-SrUGT76G1 | | 分子名称: | Steviolmonoside, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | 著者 | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | 登録日 | 2019-09-04 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | | 主引用文献 | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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8FY2
 | | E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2) | | 分子名称: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | | 著者 | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Ruben, E, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | | 登録日 | 2023-01-25 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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8FY1
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2) | | 分子名称: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | | 著者 | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | | 登録日 | 2023-01-25 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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8FY0
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) | | 分子名称: | Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ... | | 著者 | Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D. | | 登録日 | 2023-01-25 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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