8TPC
 
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | 分子名称: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | | 著者 | Chua, T.K, Song, Y. | | 登録日 | 2023-08-04 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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6LJQ
 | | human galectin-16 R55N | | 分子名称: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Su, J. | | 登録日 | 2019-12-17 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJP
 | | Crystal structure of human galectin-16 | | 分子名称: | Galectin-16 | | 著者 | Su, J. | | 登録日 | 2019-12-17 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJR
 | | human galectin-16 R55N/H57R | | 分子名称: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Su, J. | | 登録日 | 2019-12-17 | | 公開日 | 2020-10-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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4L07
 | | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | | 分子名称: | GLYCEROL, Hydrolase, isochorismatase family, ... | | 著者 | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | 登録日 | 2013-05-30 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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4L08
 | | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | | 分子名称: | Hydrolase, isochorismatase family, MALEIC ACID | | 著者 | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | | 登録日 | 2013-05-31 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
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6KPP
 | | BNC105 in complex with tubulin | | 分子名称: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, T, Wu, C, Pu, D. | | 登録日 | 2019-08-15 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.74524117 Å) | | 主引用文献 | Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
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6LDQ
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6O5E
 | | Crystal structure of the Vitronectin hemopexin-like domain | | 分子名称: | CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... | | 著者 | Lechtenberg, B.C, Shin, K, Marassi, F.M. | | 登録日 | 2019-03-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
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4GAE
 | | Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ... | | 著者 | Diao, J, Xue, J, Cai, G, Deng, L, Song, Y. | | 登録日 | 2012-07-25 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
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5GSX
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 | | 分子名称: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-17 | | 公開日 | 2017-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GSV
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5 | | 分子名称: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-17 | | 公開日 | 2017-04-26 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GSR
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A | | 分子名称: | 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-17 | | 公開日 | 2017-04-26 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GR7
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-08 | | 公開日 | 2017-06-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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5GSB
 | | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3 | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | | 著者 | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | | 登録日 | 2016-08-15 | | 公開日 | 2017-07-12 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
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4GOS
 | | Crystal structure of human B7-H4 IgV-like domain | | 分子名称: | V-set domain-containing T-cell activation inhibitor 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Vigdorovich, V, Ramagopal, U, Bhosle, R, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | 登録日 | 2012-08-20 | | 公開日 | 2012-09-12 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structure and cancer immunotherapy of the B7 family member B7x.
Cell Rep, 9, 2014
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8GU4
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8GU5
 | | Wild type poly(ethylene terephthalate) hydrolase | | 分子名称: | Poly(ethylene terephthalate) hydrolase | | 著者 | Xiao, Y.J, Wang, Z.F. | | 登録日 | 2022-09-09 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
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7ND1
 | | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | | 分子名称: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | | 著者 | Cierpicki, T, Lund, G, Jaremko, L. | | 登録日 | 2021-01-29 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
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8HJT
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | | 著者 | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-11-23 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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2MKV
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8SD2
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4 | | 分子名称: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 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 | Kadam, R.U, Zhu, X.Y, Wilson, I.A. | | 登録日 | 2023-04-06 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SD4
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7 | | 分子名称: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | 著者 | Kadam, R.U, Zhu, X, Wilson, I.A. | | 登録日 | 2023-04-06 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8CC4
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7KJZ
 | | crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate | | 分子名称: | 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7 | | 著者 | Marassi, F.M, Aleshin, A.E, Liddington, R.C. | | 登録日 | 2020-10-26 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
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