6BLR
| Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS | Descriptor: | 1,2-ETHANEDIOL, H2-Ab1 protein, IAg7 alpha chain | Authors: | Wang, Y, Dai, S. | Deposit date: | 2017-11-11 | Release date: | 2017-12-20 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C4X
| Cross-alpha Amyloid-like Structure alphaAmmem | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ZINC ION, cross-alpha amyloid-like membrane peptide alpha-AmMEM | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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6C50
| Cross-alpha Amyloid-like Structure alphaAmS | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmS, FORMIC ACID | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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7F2B
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6D02
| Cross-alpha Amyloid-like Structure alphaAmL, 2nd form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ... | Authors: | Zhang, S.-Q, Liu, L, Degrado, W.F. | Deposit date: | 2018-04-10 | Release date: | 2019-02-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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6C52
| Cross-alpha Amyloid-like Structure alphaTet | Descriptor: | Cross-alpha Amyloid-like Structure alphaTet, GLYCEROL | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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7F2E
| SARS-CoV-2 nucleocapsid protein C-terminal domain (dodecamer) | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Liu, C, Jiang, H. | Deposit date: | 2021-06-10 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of the SARS-CoV-2 nucleocapsid protein C-terminal domain and development of nucleocapsid-targeting nanobodies. Febs J., 289, 2022
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6C51
| Cross-alpha Amyloid-like Structure alphaAmL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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6DDI
| Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2018-05-10 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer. Cancer Res., 80, 2020
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7E2V
| Crystal structure of MaDA-3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MaDA-3 | Authors: | Gao, L, Du, X, Fan, J, Lei, X. | Deposit date: | 2021-02-07 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Enzymatic control of endo- and exo-stereoselective Diels-Alder reactions with broad substrate scope. Nat Catal, 2021
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2O8A
| rat PP1cgamma complexed with mouse inhibitor-2 | Descriptor: | Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Authors: | Hurley, T.D. | Deposit date: | 2006-12-12 | Release date: | 2007-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis for regulation of protein phosphatase 1 by inhibitor-2. J.Biol.Chem., 282, 2007
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2O8G
| Rat pp1c gamma complexed with mouse inhibitor-2 | Descriptor: | MANGANESE (II) ION, Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Authors: | Hurley, T.D. | Deposit date: | 2006-12-12 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for regulation of protein phosphatase 1 by inhibitor-2. J.Biol.Chem., 282, 2007
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2N2K
| Ensemble structure of the closed state of Lys63-linked diubiquitin in the absence of a ligand | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ubiquitin | Authors: | Liu, Z, Gong, Z, Tang, C. | Deposit date: | 2015-05-10 | Release date: | 2015-07-08 | Last modified: | 2015-09-23 | Method: | SOLUTION NMR | Cite: | Lys63-linked ubiquitin chain adopts multiple conformational states for specific target recognition. Elife, 4, 2015
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6BAN
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5Z55
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7YGV
| Crystal structure of the Ca2+-bound EFhd1/Swiprosin-2 | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D1, GLYCEROL, ... | Authors: | Mun, S.A, Park, J, Kang, J.Y, Park, T, Jin, M, Ynag, J, Eom, S.H. | Deposit date: | 2022-07-12 | Release date: | 2023-03-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and biochemical insights into Zn 2+ -bound EF-hand proteins, EFhd1 and EFhd2. Iucrj, 10, 2023
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8I4S
| the complex structure of SARS-CoV-2 Mpro with D8 | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | Authors: | Lu, M. | Deposit date: | 2023-01-21 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257, 2023
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8IOO
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8JAT
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6JKJ
| Crystal structure of human SPSB2 in the apo-state | Descriptor: | SPRY domain-containing SOCS box protein 2 | Authors: | Luo, Y, Kuang, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SPRY domain of human SPSB2 in the apo state. Acta Crystallogr.,Sect.F, 75, 2019
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8K14
| X-ray crystal structure of 18a in BRD4(1) | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | Deposit date: | 2023-07-10 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation. Eur.J.Med.Chem., 263, 2024
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7DCL
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6K9V
| Crystal structure of tubulin in complex with inhibitor D64 | Descriptor: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-06-18 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors. Febs Lett., 594, 2020
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6KEY
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6KOW
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