7JMI
 
 | | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 29 - State 3 (S3) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ... | | 著者 | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | | 登録日 | 2020-07-31 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
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5D05
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5HXC
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 20 mM Na+ and zero Ca2+ | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CALCIUM ION, ... | | 著者 | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | 登録日 | 2016-01-30 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
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9G71
 | | Cryo-EM structure of TTYH2 in complex with lipids in GDN | | 分子名称: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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 | Sukalskaia, A, Weber, F, Plochberger, B, Dutzler, R. | | 登録日 | 2024-07-19 | | 公開日 | 2025-05-21 | | 最終更新日 | 2025-08-20 | | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | | 主引用文献 | Interactions between TTYH2 and APOE facilitate endosomal lipid transfer.
Nature, 644, 2025
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6QVT
 | | CMP-Sialic acid bound structure of the human wild type Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6Gal1) | | 分子名称: | Beta-galactoside alpha-2,6-sialyltransferase 1, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, DI(HYDROXYETHYL)ETHER | | 著者 | Harrus, D, Glumoff, T. | | 登録日 | 2019-03-04 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Unliganded and CMP-Neu5Ac bound structures of human alpha-2,6-sialyltransferase ST6Gal I at high resolution.
J.Struct.Biol., 212, 2020
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7JMG
 | | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 22 - State 2 (S2) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ... | | 著者 | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | | 登録日 | 2020-07-31 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
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7TNG
 | | Kringle domain of human Receptor Tyrosine Kinase-Like Orphan Receptor 1 (ROR1) | | 分子名称: | Inactive tyrosine-protein kinase transmembrane receptor ROR1 | | 著者 | Guarino, S.R, Di Bello, A, Palamini, M, Forneris, F. | | 登録日 | 2022-01-21 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (hROR1)
Acta Crystallogr.,Sect.F, 78, 2022
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5ZHJ
 | | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH) | | 分子名称: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | | 登録日 | 2018-03-13 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
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6RWJ
 | | Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) | | 分子名称: | Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-06-05 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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9KYK
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6GL8
 | | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | | 分子名称: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | 著者 | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | | 登録日 | 2018-05-23 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
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9GL8
 | | EGFR Exon20 insertion mutant NPG bound with STX-721 | | 分子名称: | (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ... | | 著者 | Hilbert, B.J, Brooijmans, N, Milgram, B.C, Pagliarini, R.A. | | 登録日 | 2024-08-27 | | 公開日 | 2025-05-14 | | 最終更新日 | 2025-07-23 | | 実験手法 | X-RAY DIFFRACTION (1.632 Å) | | 主引用文献 | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 31, 2025
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6WWB
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b | | 分子名称: | 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2 | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-05-08 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6QSX
 | | Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. | | 分子名称: | Complement factor B, SULFATE ION, ZINC ION, ... | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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9EX0
 | | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A) | | 分子名称: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | | 著者 | Tito, G, Merlino, A, Ferraro, G. | | 登録日 | 2024-04-05 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7JMF
 | | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 42 - State 6 (S6) | | 分子名称: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ZINC ION, ... | | 著者 | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | | 登録日 | 2020-07-31 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Retrieving functional pathways of biomolecules from single-particle snapshots.
Nat Commun, 11, 2020
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8SMD
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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5YAV
 | | Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction | | 分子名称: | 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | 著者 | Bing, X, Yanlian, L, Danyan, C. | | 登録日 | 2017-09-01 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
To Be Published
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6ZS9
 | | Human mitochondrial ribosome in complex with ribosome recycling factor | | 分子名称: | 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ... | | 著者 | Aibara, S, Singh, V, Modelska, A, Amunts, A. | | 登録日 | 2020-07-15 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural basis of mitochondrial translation.
Elife, 9, 2020
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9EX1
 | | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure B) | | 分子名称: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex | | 著者 | Tito, G, Merlino, A, Ferraro, G. | | 登録日 | 2024-04-05 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | | 主引用文献 | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme.
Angew.Chem.Int.Ed.Engl., 63, 2024
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5YB6
 | | L-Amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 - L-lysine complex | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase/monooxygenase, ... | | 著者 | Im, D, Matsui, D, Arakawa, T, Isobe, K, Asano, Y, Fushinobu, S. | | 登録日 | 2017-09-03 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ligand complex structures of l-amino acid oxidase/monooxygenase from
FEBS Open Bio, 8, 2018
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6HWD
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5HVT
 | | Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2) | | 分子名称: | 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Robertson, M.J, Jorgensen, W.L. | | 登録日 | 2016-01-28 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors.
J.Am.Chem.Soc., 138, 2016
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6F4C
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9HSV
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