7XHJ
 
 | | Crystal structure of RuvC from Deinococcus radiodurans | | Descriptor: | Crossover junction endodeoxyribonuclease RuvC | | Authors: | Qin, C, Zhao, Y. | | Deposit date: | 2022-04-08 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Characterization of the Holliday Junction Resolvase RuvC from Deinococcus radiodurans.
Microorganisms, 10, 2022
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9JDQ
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9JDT
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7YIC
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8RPK
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8RPL
 | | AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetate--CoA ligase, MAGNESIUM ION, ... | | Authors: | Striska, K, Palm, G.J, Lammers, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule.
Nat Commun, 15, 2024
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6DL2
 | | BRD4 bromodomain 1 in complex with HYB157 | | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-05-31 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
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2YOH
 | | Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | | Descriptor: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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2YOF
 | | Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ... | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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2YOG
 | | Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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6JYZ
 | | Crystal structure of endogalactoceramidase | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ... | | Authors: | Liuqing, C, Yan, F. | | Deposit date: | 2019-04-29 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
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4LCX
 | | The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | | Deposit date: | 2013-06-24 | | Release date: | 2013-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.094 Å) | | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
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4LKJ
 | | The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | | Deposit date: | 2013-07-07 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
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4LKI
 | | The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | | Deposit date: | 2013-07-07 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
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6IEC
 | | Structure of RVFV Gn and human monoclonal antibody R17 | | Descriptor: | NSmGnGc, R17 H chain, R17 L chain | | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | Deposit date: | 2018-09-13 | | Release date: | 2019-04-10 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
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6IEA
 | | Structure of RVFV Gn and human monoclonal antibody R13 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ... | | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | Deposit date: | 2018-09-13 | | Release date: | 2019-04-10 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
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6IEK
 | | Structure of RVFV Gn and human monoclonal antibody R12 | | Descriptor: | Heavy chain of Fab R12, Light chain of Fab R12, NSmGnGc | | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | Deposit date: | 2018-09-14 | | Release date: | 2019-04-10 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
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6IEB
 | | Structure of RVFV Gn and human monoclonal antibody R15 | | Descriptor: | NSmGnGc, R15 H chain, R15 L chain | | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | | Deposit date: | 2018-09-13 | | Release date: | 2019-04-10 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
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5WSN
 | | Structure of Japanese encephalitis virus | | Descriptor: | E protein, M protein | | Authors: | Wang, X, Zhu, L, Li, S, Yuan, S, Qin, C, Fry, E.E, Stuart, I.D, Rao, Z. | | Deposit date: | 2016-12-07 | | Release date: | 2017-05-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
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8FY7
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Fried, W, Chen, X.S. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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8FY6
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | Descriptor: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Fried, W, Chen, X.S. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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7MXD
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7N28
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7BYR
 | | BD23-Fab in complex with the S ectodomain trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ... | | Authors: | Zhu, Q, Wang, G, Xiao, J. | | Deposit date: | 2020-04-24 | | Release date: | 2020-06-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | Deposit date: | 2020-01-26 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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