8W0I
 
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9BOR
 | | IkappaBzeta ankyrin repeat domain:NF-kappaB p50 homodimer complex at 2.0 Angstrom resolution | | Descriptor: | (2R,3S)-heptane-1,2,3-triol, NF-kappa-B inhibitor zeta, Nuclear factor NF-kappa-B p50 subunit | | Authors: | Rogers, W.E, Zhu, N, Huxford, T. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural and biochemical analyses of the nuclear I kappa B zeta protein in complex with the NF-kappa B p50 homodimer.
Genes Dev., 38, 2024
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8WXY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | | Descriptor: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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8W0E
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8W0G
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8XXM
 | | Cryo-EM structure of the human 40S ribosome with PDCD4 and eIF3G | | Descriptor: | 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Ye, X, Huang, Z, Li, Y, Wang, M, Cheng, J. | | Deposit date: | 2024-01-18 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Human tumor suppressor PDCD4 directly interacts with ribosomes to repress translation.
Cell Res., 34, 2024
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8XVG
 | | Structure of human NuA4/TIP60 complex | | Descriptor: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 6A, ... | | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2024-01-15 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (9.4 Å) | | Cite: | Structure of the human TIP60 complex.
Nat Commun, 15, 2024
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9BOQ
 | | Human p97/VCP structure with a triazole inhibitor (NSC799462/dodecamer) | | Descriptor: | 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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6TPY
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8W0F
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8WYP
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8WNY
 | | Cryo EM map of SLC7A10-SLC3A2 complex in the D-serine bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amino acid transporter heavy chain SLC3A2, Asc-type amino acid transporter 1, ... | | Authors: | Li, Y.N, Guo, Y.Y, Dai, L, Yan, R.H. | | Deposit date: | 2023-10-06 | | Release date: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the human Asc-1 transporter complex.
Nat Commun, 15, 2024
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6TPX
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6TPZ
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2019-12-15 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
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6U5C
 | | RT XFEL structure of CypA solved using MESH injection system | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Wolff, A.M, Thompson, M.C. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
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6U6K
 | | BRD4-BD1 in complex with the cyclic peptide 3.1_3 | | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_3 | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | Deposit date: | 2019-08-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8G
 | | BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA | | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | | Deposit date: | 2019-09-05 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8N
 | | Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-05 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6TWY
 | | MAGI1_2 complexed with a phosphomimetic RSK1 peptide | | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | | Deposit date: | 2020-01-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
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6UC4
 | | Barbed end side of a cofilactin cluster | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | | Deposit date: | 2019-09-13 | | Release date: | 2020-01-01 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (9.2 Å) | | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U15
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6U72
 | | BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | | Deposit date: | 2019-08-31 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U6Z
 | | Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide | | Descriptor: | DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | | Authors: | Taylor, A.B, Yu, C.H, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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6U9Q
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6U8X
 | | Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA | | Descriptor: | CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | | Authors: | Gao, L, Song, J. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95063877 Å) | | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
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