4HGN
 
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3T7K
 | | Complex structure of Rtt107p and phosphorylated histone H2A | | Descriptor: | Histone H2A.1, Regulator of Ty1 transposition protein 107 | | Authors: | Li, X, Li, F, Wu, J, Shi, Y. | | Deposit date: | 2011-07-30 | | Release date: | 2012-02-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.028 Å) | | Cite: | Structure of C-terminal Tandem BRCT Repeats of Rtt107 Protein Reveals Critical Role in Interaction with Phosphorylated Histone H2A during DNA Damage Repair
J.Biol.Chem., 287, 2012
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7DQZ
 | | Crystal structure of SARS 3C-like protease in apo form | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | Deposit date: | 2020-12-24 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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5Z08
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7EO7
 | | Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24916625 Å) | | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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7EO8
 | | Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2808516 Å) | | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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5Z07
 | | Crystal structure of centromere protein Cenp-I | | Descriptor: | Cenp-I | | Authors: | Tian, W, Hu, L.Q, He, X. | | Deposit date: | 2017-12-18 | | Release date: | 2018-10-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Structural analysis of fungal CENP-H/I/K homologs reveals a conserved assembly mechanism underlying proper chromosome alignment.
Nucleic Acids Res., 47, 2019
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6HP9
 | | Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor | | Descriptor: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1 | | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-19 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
J.Med.Chem., 62, 2019
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6GWR
 | | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2 | | Descriptor: | 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ... | | Authors: | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-06-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
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6LE0
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6LOX
 | | Crystal Structure of human glutaminase with macrocyclic inhibitor | | Descriptor: | (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial | | Authors: | Bian, J, Li, Z, Xu, X, Wang, J, Li, L. | | Deposit date: | 2020-01-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
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6MIE
 | | Solution NMR structure of the KCNQ1 voltage-sensing domain | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R. | | Deposit date: | 2018-09-19 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state.
Elife, 9, 2020
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4AGE
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8KH8
 | | Crystal structure of FGFR4(V550L) kinase domain with 8z | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8KH7
 | | Crystal structure of FGFR4 kinase domain with 8zc | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8KH6
 | | Crystal structure of FGFR4 kinase domain with 8r | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8KH9
 | | Crystal structure of FGFR4(V550M) kinase domain with 8z | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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4AGF
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7CQZ
 | | crystal structure of mouse FAM46C (TENT5C) | | Descriptor: | CHLORIDE ION, GLYCEROL, Terminal nucleotidyltransferase 5C | | Authors: | Hu, J.L, Zhang, H, Gao, S. | | Deposit date: | 2020-08-12 | | Release date: | 2021-06-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.34969759 Å) | | Cite: | Structural and functional characterization of multiple myeloma associated cytoplasmic poly(A) polymerase FAM46C.
Cancer Commun (Lond), 41, 2021
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6ZYT
 | | Monomeric streptavidin with a conjugated biotinylated pyrrolidine | | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, SULFATE ION, Streptavidin/Rhizavidin Hybrid | | Authors: | Nodling, A.R, Lipka-Lloyd, M, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | Deposit date: | 2020-08-03 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
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7E56
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7X08
 | | S protein of SARS-CoV-2 in complex with 2G1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-21 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
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7XF0
 | | Crystal strucutre of CasDinG in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CasDinG | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XF1
 | | Crystal strucutre of apoCasDinG in complex with ssDNA | | Descriptor: | CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3') | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XEX
 | | Crystal strucutre of apoCasDinG | | Descriptor: | CasDinG | | Authors: | Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N. | | Deposit date: | 2022-03-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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