7XIL
 
 | | SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B38 Fab heavy chain, B38 Fab light chain, ... | | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | | Deposit date: | 2022-04-13 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex
To Be Published
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7XIK
 | | SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex | | Descriptor: | B38 Fab heavy chain, B38 Fab light chain, Spike protein S1 | | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | | Deposit date: | 2022-04-13 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex
To Be Published
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7VOO
 | | Induced alpha-2-macroglobulin monomer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ... | | Authors: | Huang, X, Wang, Y, Ping, Z. | | Deposit date: | 2021-10-14 | | Release date: | 2022-10-19 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor.
Sci China Life Sci, 65, 2022
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7VON
 | | Native alpha-2-macroglobulin monomer | | Descriptor: | Alpha-2-macroglobulin | | Authors: | Huang, X, Wang, Y. | | Deposit date: | 2021-10-14 | | Release date: | 2022-11-16 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor.
Sci China Life Sci, 65, 2022
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1HYV
 | | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM | | Descriptor: | CHLORIDE ION, INTEGRASE, SULFATE ION, ... | | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | | Deposit date: | 2001-01-22 | | Release date: | 2001-04-04 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
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1HYZ
 | | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM. | | Descriptor: | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ... | | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | | Deposit date: | 2001-01-22 | | Release date: | 2001-04-04 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
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5E6F
 | | Canarypox virus resolvase | | Descriptor: | CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION | | Authors: | Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2015-10-09 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
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2H7G
 | | Structure of variola topoisomerase non-covalently bound to DNA | | Descriptor: | 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1 | | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2006-06-02 | | Release date: | 2006-08-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
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2H7F
 | | Structure of variola topoisomerase covalently bound to DNA | | Descriptor: | 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', DNA topoisomerase 1 | | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2006-06-02 | | Release date: | 2006-08-15 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for specificity in the poxvirus topoisomerase.
Mol.Cell, 23, 2006
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3IGC
 | | Smallpox virus topoisomerase-DNA transition state | | Descriptor: | 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ... | | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | | Deposit date: | 2009-07-27 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Structure, 18, 2010
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6W78
 | | crystal structure of a plant ice-binding protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antifreeze polypeptide | | Authors: | Wang, Y.N, Zhang, H.Q. | | Deposit date: | 2020-03-18 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.311 Å) | | Cite: | Carrot 'antifreeze' protein has an irregular ice-binding site that confers weak freezing point depression but strong inhibition of ice recrystallization.
Biochem.J., 477, 2020
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3RYT
 | | The Plexin A1 intracellular region in complex with Rac1 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Plexin-A1, ... | | Authors: | Zhang, X, He, H. | | Deposit date: | 2011-05-11 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.582 Å) | | Cite: | Plexins Are GTPase-Activating Proteins for Rap and Are Activated by Induced Dimerization.
Sci.Signal., 5, 2012
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6IIM
 | | USP14 catalytic domain with IU1-206 | | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IIN
 | | USP14 catalytic domain with IU1-248 | | Descriptor: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IIK
 | | USP14 catalytic domain with IU1 | | Descriptor: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, Y.W, He, W, Wang, F. | | Deposit date: | 2018-10-06 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IUO
 | | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | | Descriptor: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | | Authors: | Xu, Y, Liu, Q. | | Deposit date: | 2018-11-29 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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6ITJ
 | | Crystal structure of FGFR1 kinase domain in complex with compound 3 | | Descriptor: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | | Authors: | Xu, Y, Liu, Q. | | Deposit date: | 2018-11-23 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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8XPS
 | | Structure of Nipah virus Bangladesh string G protein ectodomain monomer bound to single-domain antibody n425 at 3.22 Angstroms overall resolution | | Descriptor: | Nipah virus Bangladesh string G protein, 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, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sun, L, Chen, Z, Sun, Y, Mao, Q. | | Deposit date: | 2024-01-04 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Fully human single-domain antibody targeting a highly conserved cryptic epitope on the Nipah virus G protein.
Nat Commun, 15, 2024
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8XPY
 | | Structure of Nipah virus Malaysia string G protein ectodomain monomer bound to single-domain antibody n425 at 3.63 Angstroms overall resolution | | Descriptor: | Glycoprotein G, 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, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sun, L, Chen, Z, Sun, Y, Mao, Q. | | Deposit date: | 2024-01-04 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Fully human single-domain antibody targeting a highly conserved cryptic epitope on the Nipah virus G protein.
Nat Commun, 15, 2024
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8XQ3
 | | Structure of Nipah virus Bangladesh string G protein ectodomain tetramer bound to single-domain antibody n425 at 5.87 Angstroms overall resolution | | Descriptor: | Nipah virus Bangladesh string G protein, 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, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sun, L, Chen, Z, Sun, Y, Mao, Q. | | Deposit date: | 2024-01-04 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (5.87 Å) | | Cite: | Fully human single-domain antibody targeting a highly conserved cryptic epitope on the Nipah virus G protein.
Nat Commun, 15, 2024
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5XIW
 | | Crystal structure of T2R-TTL-Colchicine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | | Deposit date: | 2017-04-27 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
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8GUN
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8GUO
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8GUP
 | | Crystal structure of EsaG from Staphylococcus aureus | | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-09-13 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.298725 Å) | | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
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8KHD
 | | The interface structure of Omicron RBD binding to 5817 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ... | | Authors: | Cao, L, Wang, X. | | Deposit date: | 2023-08-21 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
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