3K99
| HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | 分子名称: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | 著者 | Gajiwala, K.S, Davies II, J.F. | 登録日 | 2009-10-15 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone. J.Med.Chem., 53, 2010
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3K97
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1UNE
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8DVP
| Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with substrate purine | 分子名称: | ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ... | 著者 | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | 登録日 | 2022-07-29 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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8DW0
| Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site (AP) product and crystallized with sodium acetate | 分子名称: | 1,2-ETHANEDIOL, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ... | 著者 | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | 登録日 | 2022-07-30 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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8DW7
| DNA glycosylase MutY variant N146S in complex with DNA containing the transition state analog 1N paired with d(8-oxo-G) | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ... | 著者 | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | 登録日 | 2022-07-31 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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8DVY
| DNA glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site product (AP) and crystalized with calcium acetate | 分子名称: | ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ... | 著者 | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | 登録日 | 2022-07-30 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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8DW4
| Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium | 分子名称: | ACETATE ION, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ... | 著者 | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | 登録日 | 2022-07-31 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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7OPB
| IL7R in complex with an antagonist | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ... | 著者 | Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N. | 登録日 | 2021-05-31 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.144 Å) | 主引用文献 | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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7XQ8
| Structure of human B-cell antigen receptor of the IgM isotype | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ... | 著者 | Chen, M.Y, Su, Q, Shi, Y.G. | 登録日 | 2022-05-07 | 公開日 | 2022-08-17 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cryo-EM structure of the human IgM B cell receptor. Science, 377, 2022
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8CVT
| Human 19S-20S proteasome, state SD2 | 分子名称: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 8, 26S proteasome complex subunit SEM1, ... | 著者 | Zhao, J. | 登録日 | 2022-05-18 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVR
| Human 20S proteasome with MG-132 | 分子名称: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | 著者 | Zhao, J. | 登録日 | 2022-05-18 | 公開日 | 2022-11-02 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVS
| Human PA200-20S proteasome with MG-132 | 分子名称: | INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ... | 著者 | Zhao, J. | 登録日 | 2022-05-18 | 公開日 | 2022-11-02 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8J77
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8J75
| Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, monomeric state | 分子名称: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Gao, Y, Qiu, Y, Zhao, Y. | 登録日 | 2023-04-27 | 公開日 | 2024-04-10 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Transport mechanism of presynaptic high-affinity choline uptake by CHT1. Nat.Struct.Mol.Biol., 31, 2024
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8J76
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8J74
| Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, dimeric state | 分子名称: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), CHOLESTEROL HEMISUCCINATE, HEXADECANE, ... | 著者 | Gao, Y, Qiu, Y, Zhao, Y. | 登録日 | 2023-04-27 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Transport mechanism of presynaptic high-affinity choline uptake by CHT1. Nat.Struct.Mol.Biol., 31, 2024
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7N1J
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7N1K
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7N3T
| TrkA ECD complex with designed miniprotein ligand | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jude, K.M, Cao, L, Garcia, K.C. | 登録日 | 2021-06-01 | 公開日 | 2022-04-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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7CJM
| SARS CoV-2 PLpro in complex with GRL0617 | 分子名称: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | 著者 | Fu, Z, Huang, H. | 登録日 | 2020-07-11 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery. Nat Commun, 12, 2021
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4W2R
| Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | 分子名称: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | 著者 | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | 登録日 | 2017-09-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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8GZ1
| Cryo-EM structure of human NaV1.6/beta1/beta2,apo state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ... | 著者 | Li, Y, Jiang, D. | 登録日 | 2022-09-24 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin. Nat Commun, 14, 2023
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8GZ2
| Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin | 分子名称: | (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ... | 著者 | Li, Y, Jiang, D. | 登録日 | 2022-09-24 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin. Nat Commun, 14, 2023
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7RDH
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