8UAC
 
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | 分子名称: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | 著者 | Chao, A, DuPrez, K.T, Han, F.Q. | | 登録日 | 2023-09-20 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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8UAB
 | | SARS-CoV-2 main protease (Mpro) complex with AC1115 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | 著者 | DuPrez, K.T, Chao, A, Han, F.Q. | | 登録日 | 2023-09-20 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | | 主引用文献 | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
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4XH7
 | | Crystal structure of MUPP1 PDZ4 | | 分子名称: | IMIDAZOLE, Multiple PDZ domain protein | | 著者 | Liu, Z, Zhu, H, Liu, W. | | 登録日 | 2015-01-05 | | 公開日 | 2015-03-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Biochemical and structural characterization of MUPP1-PDZ4 domain from Mus musculus.
Acta Biochim.Biophys.Sin., 47, 2015
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9B7A
 | | Crystal structure of peroxiredoxin 1 with RA | | 分子名称: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Peroxiredoxin-1 | | 著者 | Wu, Y, Xu, H, Luo, C. | | 登録日 | 2024-03-27 | | 公開日 | 2025-01-22 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Inhibited peroxidase activity of peroxiredoxin 1 by palmitic acid exacerbates nonalcoholic steatohepatitis in male mice.
Nat Commun, 16, 2025
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7KN3
 | | Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ... | | 著者 | Liu, H, Zhu, X, Wilson, I.A. | | 登録日 | 2020-11-04 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
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7KN4
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6N33
 | | Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622 | | 分子名称: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | | 著者 | Zhang, Y. | | 登録日 | 2018-11-14 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
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2J5F
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2J5E
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8SAI
 | | Cryo-EM structure of GPR34-Gi complex | | 分子名称: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | | 登録日 | 2023-04-01 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5GUT
 | | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | | 分子名称: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | 著者 | Chen, S.J, Ye, F. | | 登録日 | 2016-08-31 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
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6IJX
 | | Crystal Structure of AKR1C1 complexed with meclofenamic acid | | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | | 登録日 | 2018-10-12 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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6LZZ
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a | | 分子名称: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Huang, Y.Y, Wu, Y, Luo, H.B. | | 登録日 | 2020-02-19 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.40003753 Å) | | 主引用文献 | Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors
To Be Published
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5GUV
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2HWO
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2HWP
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1RKB
 | | The structure of adrenal gland protein AD-004 | | 分子名称: | LITHIUM ION, Protein AD-004, SULFATE ION | | 著者 | Ren, H, Liang, Y, Bennett, M, Su, X.D. | | 登録日 | 2003-11-21 | | 公開日 | 2005-01-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
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6KOL
 | | Crystal structure of auracyanin from photosynthetic bacterium Roseiflexus castenholzii | | 分子名称: | Blue (Type 1) copper domain protein, CHLORIDE ION, COPPER (II) ION | | 著者 | Wang, C, Zhang, C.Y, Min, Z.Z, Xin, Y.Y, Xu, X.L. | | 登録日 | 2019-08-12 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.211 Å) | | 主引用文献 | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
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6L9S
 | | Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii | | 分子名称: | Blue (Type 1) copper domain protein, COPPER (I) ION | | 著者 | Wang, C, Zhang, C.Y, Min, Z.Z, Xu, X.L. | | 登録日 | 2019-11-10 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii.
Photosyn. Res., 143, 2020
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3NER
 | | Structure of Human Type B Cytochrome b5 | | 分子名称: | Cytochrome b5 type B, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Terzyan, S, Zhang, C, Rivera, M, Benson, D.B. | | 登録日 | 2010-06-09 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Accommodating a Non-Conservative Internal Mutation by Water-Mediated Hydrogen-Bonding Between beta-Sheet Strands: A Comparison of Human and Rat Type B (Mitochondrial) Cytochrome b5
Biochemistry, 50, 2011
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | 著者 | Zhou, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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5WJ6
 | | Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004) | | 分子名称: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Huang, Q, Cerione, R.A. | | 登録日 | 2017-07-21 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | | 主引用文献 | Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293, 2018
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4RZV
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7UM7
 | | CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine | | 分子名称: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Zhang, S, Fay, J.F, Roth, B.L. | | 登録日 | 2022-04-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | | 主引用文献 | Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
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7UM5
 | | CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT | | 分子名称: | 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Zhang, S, Fay, J.F, Roth, B.L. | | 登録日 | 2022-04-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | | 主引用文献 | Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
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