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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6MVP
 | | HCV NS5B 1b N316 bound to Compound 18 | | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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8EFP
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8ET1
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8ET2
 | | CryoEM structure of the GSDMB pore | | Descriptor: | Isoform 1 of Gasdermin-B | | Authors: | Wang, C, Ruan, J. | | Deposit date: | 2022-10-15 | | Release date: | 2023-03-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.96 Å) | | Cite: | Structural basis for GSDMB pore formation and its targeting by IpaH7.8.
Nature, 616, 2023
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7YMD
 | | Cryo-EM structure of Nse1/3/4 | | Descriptor: | Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosomes element 1 | | Authors: | Qian, L, Jun, Z, Zhenguo, C, Wang, L. | | Deposit date: | 2022-07-28 | | Release date: | 2024-01-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.176 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
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6MVO
 | | HCV NS5B 1A Y316 bound to Compound 49 | | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6MVK
 | | HCV NS5B 1b N316 bound to Compound 18 | | Descriptor: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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7WD0
 | | SARS-CoV-2 Beta spike in complex with two S5D2 Fabs | | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WDF
 | | SARS-CoV-2 Beta spike in complex with two S3H3 Fabs | | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WD9
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7WD7
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7WCZ
 | | SARS-CoV-2 Beta spike in complex with one S5D2 Fab | | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WCR
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7WD8
 | | SARS-CoV-2 Beta spike SD1 in complex with S3H3 Fab | | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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6WIO
 | | Fab antigen complex | | Descriptor: | Fab Heavy chain, Fab Light chain, Interleukin-17A | | Authors: | Antonysamy, S. | | Deposit date: | 2020-04-10 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
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7CSW
 | | Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter | | Descriptor: | HTH cro/C1-type domain-containing protein, pa2440 | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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8EME
 | | EGFR(T790M/V948R) in complex with ZNL-0056 | | Descriptor: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-10-18 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality.
Acs Cent.Sci., 10, 2024
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7WRO
 | | Local structure of BD55-3372 and delta spike | | Descriptor: | 3372H, 3372L, Spike protein S1 | | Authors: | Liu, P.L. | | Deposit date: | 2022-01-27 | | Release date: | 2022-06-22 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7WR8
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7CSV
 | | Pseudomonas aeruginosa antitoxin HigA | | Descriptor: | HTH cro/C1-type domain-containing protein | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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6NNG
 | | Tubulin-RB3_SLD-TTL in complex with compound DJ95 | | Descriptor: | 2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-10 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy.
Mol.Pharmacol., 96, 2019
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7CSY
 | | Pseudomonas aeruginosa antitoxin HigA with higBA promoter | | Descriptor: | DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ... | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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8J00
 | | Human KCNQ2-CaM in complex with CBD | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8J01
 | | Human KCNQ2-CaM in complex with CBD and PIP2 | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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