7QKC
 
 | | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | | 分子名称: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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6NXQ
 | | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C13A mutant | | 分子名称: | SODIUM ION, Triosephosphate isomerase, cytosolic | | 著者 | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | | 登録日 | 2019-02-09 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
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6NXW
 | | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant | | 分子名称: | Triosephosphate isomerase, cytosolic | | 著者 | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | | 登録日 | 2019-02-10 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
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7OLW
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6XPG
 | | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography | | 分子名称: | Lysophospholipase L1 | | 著者 | Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
To Be Published
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6NXD
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6NXR
 | | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C13D mutant | | 分子名称: | GLYCEROL, SODIUM ION, Triosephosphate isomerase, ... | | 著者 | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | | 登録日 | 2019-02-09 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
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6NXY
 | | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218D mutant | | 分子名称: | SODIUM ION, Triosephosphate isomerase, cytosolic | | 著者 | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | | 登録日 | 2019-02-10 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
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7OLU
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6O3K
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6O3U
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5FTO
 | | Crystal structure of the ALK kinase domain in complex with Entrectinib | | 分子名称: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | | 著者 | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | 登録日 | 2016-01-14 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
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6O3D
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6O3J
 | | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | | 分子名称: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | | 著者 | Irimia, A, Wilson, I.A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.416 Å) | | 主引用文献 | An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
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7P4E
 | | Crystal structure of PPARgamma in complex with compound FL217 | | 分子名称: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | | 著者 | Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2021-07-11 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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6NXS
 | | Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218Y mutant | | 分子名称: | SODIUM ION, Triosephosphate isomerase, cytosolic | | 著者 | Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G. | | 登録日 | 2019-02-09 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
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7P4K
 | | Soluble epoxide hydrolase in complex with FL217 | | 分子名称: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | | 著者 | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2021-07-11 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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6O3L
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8UO9
 | | Structure of synaptic vesicle protein 2A in complex with a nanobody | | 分子名称: | (4R)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | | 登録日 | 2023-10-19 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024
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6XPM
 | | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature | | 分子名称: | Lysophospholipase L1, SODIUM ION | | 著者 | Kim, Y, Johnson, J, Welk, L, Endres, M, Levens, A, Sherrell, D.A, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature
To Be Published
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6O41
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6XS4
 | | Crystal structure of glycyl radical enzyme ECL_02896 from Enterobacter cloacae subsp. cloacae | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Formate C-acetyltransferase | | 著者 | Valleau, D, Evdokimova, E, Stogios, P.J, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-07-14 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal structure of glycyl radical enzyme ECL_02896 from Enterobacter cloacae subsp. cloacae.
To Be Published
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7DF6
 | | Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3 | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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7DF5
 | | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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6OC0
 | | Crystal structure of human DHODH with OSU-03012 | | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Durst, M.A, Lavie, A. | | 登録日 | 2019-03-21 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
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