8IGX
 
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | | 分子名称: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-21 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | | 分子名称: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-19 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IGY
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-21 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IA7
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | 分子名称: | CCK-8, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | 登録日 | 2023-02-08 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
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5O2E
 | | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | | 分子名称: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | 登録日 | 2017-05-20 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6KLS
 | | Hyperthermophilic respiratory Complex III | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, Cytochrome c, ... | | 著者 | Fei, S, Hartmut, M, Yun, Z, Guohong, P, Guoliang, Z, Hui, Z, Shuangbo, Z, Xiaoyun, P, Yan, Z. | | 登録日 | 2019-07-30 | | 公開日 | 2020-05-13 | | 最終更新日 | 2021-04-07 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A 3.3 angstrom -Resolution Structure of Hyperthermophilic Respiratory Complex III Reveals the Mechanism of Its Thermal Stability.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7XIC
 | | S-ECD (Omicron) in complex with STS165 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | 著者 | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | 登録日 | 2022-04-12 | | 公開日 | 2022-06-15 | | 最終更新日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
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7XID
 | | S-ECD (Omicron) in complex with PD of ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | 著者 | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | 登録日 | 2022-04-12 | | 公開日 | 2022-06-15 | | 最終更新日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
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2PJT
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | | 分子名称: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | | 著者 | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | | 登録日 | 2007-04-16 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
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2L0K
 | | NMR solution structure of a transcription factor SpoIIID in complex with DNA | | 分子名称: | Stage III sporulation protein D | | 著者 | Chen, B, Himes, P, Lu, Z, Liu, A, Yan, H, Kroos, L. | | 登録日 | 2010-07-08 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Novel Mode of DNA Binding by Bacterial Transcription Factor SpoIIID
To be Published
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6UYC
 | | Crystal structure of TEAD2 bound to Compound 2 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide, Transcriptional enhancer factor TEF-4 | | 著者 | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.658 Å) | | 主引用文献 | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling.
Cell Rep, 31, 2020
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7LXP
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7LXQ
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7LL7
 | | [2]Catenane From MccJ25 Variant G12C G21C | | 分子名称: | GLY-GLY-ALA-GLY-HIS-VAL-PRO-GLU-TYR-PHE, VAL-CYS-ILE-GLY-THR-PRO-ILE-SER-PHE-TYR-CYS | | 著者 | Link, A.J, Schroeder, H.V. | | 登録日 | 2021-02-03 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dynamic covalent self-assembly of mechanically interlocked molecules solely made from peptides.
Nat.Chem., 13, 2021
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6UYB
 | | Crystal structure of TEAD2 bound to Compound 1 | | 分子名称: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | 著者 | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.543 Å) | | 主引用文献 | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling.
Cell Rep, 31, 2020
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7MJ5
 | | complex of human thrombin with XC-43 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Putative secreted salivary protein, SODIUM ION, ... | | 著者 | Lu, S, Tirloni, L, Andersen, J.F. | | 登録日 | 2021-04-19 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of a substrate-like cleavage-resistant thrombin inhibitor from the saliva of the flea Xenopsylla cheopis.
J.Biol.Chem., 297, 2021
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7MQ2
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7MQ3
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7MQ1
 | | C9A Streptococcus pneumoniae CstR in the reduced state, space group C2 | | 分子名称: | CHLORIDE ION, Copper-sensing transcriptional repressor csoR, GLYCEROL, ... | | 著者 | Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
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7VKA
 | | Crystal Structure of GH3.6 in complex with an inhibitor | | 分子名称: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ... | | 著者 | Wang, N, Luo, M, Bao, H, Huang, H. | | 登録日 | 2021-09-29 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8H10
 | | Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-2 Conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | | 登録日 | 2022-09-30 | | 公開日 | 2022-10-19 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
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8H13
 | | Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | | 登録日 | 2022-09-30 | | 公開日 | 2022-10-19 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (4.05 Å) | | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
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8H14
 | | Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | | 登録日 | 2022-09-30 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
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8H16
 | | Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Open Conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (3.35534 Å) | | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
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8H11
 | | Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Closed Conformation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
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