4YPS
| (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1012 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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7XUF
| Cryo-EM structure of the AKT1-AtKC1 complex from Arabidopsis thaliana | Descriptor: | POTASSIUM ION, Potassium channel AKT1, Potassium channel KAT3 | Authors: | Yang, G.H, Lu, Y.M, Jia, Y.T, Yang, F, Zhang, Y.M, Xu, X, Li, X.M, Lei, J.L. | Deposit date: | 2022-05-18 | Release date: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis. Nat Commun, 13, 2022
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3O2M
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8IK0
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8IK3
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8H7A
| Crystal structure of the dimer form KAT6A WH domain with its bound double stranded DNA | Descriptor: | DNA (5'-D(*GP*GP*TP*CP*CP*GP*AP*CP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*CP*GP*TP*CP*GP*GP*AP*CP*C)-3'), Histone acetyltransferase KAT6A, ... | Authors: | Wang, Z, Cao, Y. | Deposit date: | 2022-10-19 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The histone acetyltransferase KAT6A is recruited to unmethylated CpG islands via a DNA binding winged helix domain. Nucleic Acids Res., 51, 2023
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7KC4
| Human WLS in complex with WNT8A | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F. | Deposit date: | 2020-10-05 | Release date: | 2021-01-06 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion. Cell, 184, 2021
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8IDN
| Cryo-EM structure of RBD/E77-Fab complex | Descriptor: | E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ... | Authors: | Lu, D.F, Zhang, Z.C. | Deposit date: | 2023-02-13 | Release date: | 2023-06-21 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2. Acta Crystallogr D Struct Biol, 79, 2023
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7X1M
| The complex structure of Omicron BA.1 RBD with BD604, S309,and S304 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ... | Authors: | Huang, M, Xie, Y.F, Qi, J.X. | Deposit date: | 2022-02-24 | Release date: | 2022-07-06 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3. Immunity, 55, 2022
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7DRV
| Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | Deposit date: | 2020-12-29 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species. Cell, 184, 2021
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6L3G
| Structural Basis for DNA Unwinding at Forked dsDNA by two coordinating Pif1 helicases | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*TP*TP*TP*T)-3'), ... | Authors: | Su, N, Bharath, S.R, Song, H. | Deposit date: | 2019-10-10 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for DNA unwinding at forked dsDNA by two coordinating Pif1 helicases. Nat Commun, 10, 2019
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5ZSU
| Structure of the human homo-hexameric LRRC8A channel at 4.25 Angstroms | Descriptor: | Volume-regulated anion channel subunit LRRC8A | Authors: | Kasuya, G, Nakane, T, Yokoyama, T, Shirouzu, M, Ishitani, R, Nureki, O. | Deposit date: | 2018-04-29 | Release date: | 2018-08-15 | Last modified: | 2018-09-26 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Cryo-EM structures of the human volume-regulated anion channel LRRC8. Nat. Struct. Mol. Biol., 25, 2018
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7XBF
| The complex structure of RshSTT182/200 RBD-insert2 bound to human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain insert2, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBG
| The crystal structure of RshSTT182/200 RBD-insert2-T346R-Y496G mutant in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBH
| The complex structure of RshSTT182/200 RBD bound to human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7Y0I
| Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide | Descriptor: | ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION | Authors: | Yu, M, Zeng, L. | Deposit date: | 2022-06-05 | Release date: | 2022-10-12 | Method: | SOLUTION NMR | Cite: | Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer. Front Oncol, 12, 2022
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9BLG
| Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 | Descriptor: | (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Bester, S.M, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-04-30 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy. Cancer Discov, 13, 2023
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7WX2
| CBP-BrD complexed with NEO2734 | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein | Authors: | Zeng, L, Lei, J.D. | Deposit date: | 2022-02-14 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene, 41, 2022
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7WWZ
| BRD4-BD1 complexed with NEO2734 | Descriptor: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4 | Authors: | Zeng, L, Lei, J.D. | Deposit date: | 2022-02-14 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene, 41, 2022
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7EAX
| Crystal complex of p53-V272M and antimony ion | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Tang, Y. | Deposit date: | 2021-03-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations. Cell Rep, 39, 2022
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7E0B
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7CRQ
| NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (2:1 binding mode) | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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7CRP
| NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (1:1 binding mode) | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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7CRR
| Native NSD3 bound to 187-bp nucleosome | Descriptor: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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7CRO
| NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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