9EOH
 
 | |
9F53
 | | UP1 in complex with Z237527902 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(5-methyl-1H-pyrazol-3-yl)acetamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
|
|
9ERN
 | |
8Y87
 | | Structure of HCoV-HKU1C spike in the functionally anchored-1up conformation with 1TMPRSS2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
|
|
9FDD
 | | The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine | | Descriptor: | HTH-type transcriptional regulator CysB, N-ACETYL-SERINE | | Authors: | Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2024-05-16 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine.
Eur.Biophys.J., 2024
|
|
8ZWM
 | |
9ERM
 | |
8ZRI
 | |
9EUR
 | | Mpro WT from SARS-CoV-2 with 298Q mutation | | Descriptor: | Replicase polyprotein 1a | | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | Deposit date: | 2024-03-28 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
|
|
9EU6
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23j | | Descriptor: | (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
|
|
9EPL
 | | Mpro from SARS-CoV-2 with 298Q mutation | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ... | | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | Deposit date: | 2024-03-18 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
|
|
8Y6Q
 | | Structure of the Dark/Dronc complex | | Descriptor: | Apaf-1 related killer DARK, Caspase Dronc | | Authors: | Tian, L, Li, Y, Shi, Y. | | Deposit date: | 2024-02-03 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Dark and Dronc activation in Drosophila melanogaster.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8ZC2
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (7.82 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
|
|
9ER3
 | |
8Y89
 | | Structure of HCoV-HKU1C spike in the functionally anchored-3up conformation with 2TMPRSS2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Lu, Y.C, Wang, H.F, Zhang, X, Liu, X.C, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 2024
|
|
9EUE
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23a | | Descriptor: | (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
|
|
9EU7
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 15b | | Descriptor: | (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
|
|
9EWN
 | | Mpro from SARS-CoV-2 with 4Q mutation | | Descriptor: | Non-structural protein 11 | | Authors: | Plewka, J, Lis, K, Czarna, A, Kantyka, T, Pyrc, K. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
|
|
9B0Z
 | |
9EOF
 | | Structure of the human INTS5/8/10/15 subcomplex | | Descriptor: | Integrator complex subunit 10, Integrator complex subunit 15, Integrator complex subunit 5, ... | | Authors: | Razew, M, Galej, W.P. | | Deposit date: | 2024-03-14 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 84, 2024
|
|
8ZNG
 | |
8ZJ2
 | | Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex | | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | | Deposit date: | 2024-05-14 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.66 Å) | | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 300, 2024
|
|
8ZC6
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6.85 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
|
|
9EPM
 | | Mpro from SARS-CoV-2 with 4A mutation | | Descriptor: | Non-structural protein 11 | | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | Deposit date: | 2024-03-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
|
|
9BUN
 | |
