5T4W
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7A6I
| Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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3JTG
| Crystal structure of mouse Elf3 C-terminal DNA-binding domain in complex with type II TGF-beta receptor promoter DNA | Descriptor: | DNA (5'-D(*CP*AP*AP*AP*CP*AP*GP*GP*AP*AP*AP*CP*TP*CP*CP*T)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*GP*TP*TP*TP*CP*CP*TP*GP*TP*TP*T)-3'), ETS-related transcription factor Elf-3 | Authors: | Tahirov, T.H, Babayeva, N.D, Agarkar, V.B, Rizzino, A. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of mouse Elf3 C-terminal DNA-binding domain in complex with type II TGF-beta receptor promoter DNA. J.Mol.Biol., 397, 2010
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5SZR
| Protocadherin Gamma B2 extracellular cadherin domains 3-6 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Rubinstein, R, Honig, B, Shapiro, L. | Deposit date: | 2016-08-14 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | gamma-Protocadherin structural diversity and functional implications. Elife, 5, 2016
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8OIF
| Structure of the UBE1L activating enzyme bound to ISG15 and UBE2L6 | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Wallace, I, Kheewoong, B, Prabu, J.R, Vollrath, R, von Gronau, S, Schulman, B.A, Swatek, K.N. | Deposit date: | 2023-03-22 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Insights into the ISG15 transfer cascade by the UBE1L activating enzyme. Nat Commun, 14, 2023
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7K81
| KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | Deposit date: | 2020-09-24 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
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6I96
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7N1W
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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8ONO
| Modified oligopeptidase B from S. proteamaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2023-04-03 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution To Be Published
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6BXA
| Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | Deposit date: | 2017-12-18 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies. J. Mol. Biol., 430, 2018
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8U7X
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4Z0K
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8U7W
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6USN
| Co-crystal structure of SPR with compound 5 | Descriptor: | (2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, X, Wang, K. | Deposit date: | 2019-10-28 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.773 Å) | Cite: | Virtual screening to identify potent sepiapterin reductase inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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5KJZ
| Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | Deposit date: | 2016-06-20 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.347 Å) | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem. J., 474, 2017
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7BMK
| ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | Descriptor: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | Deposit date: | 2021-01-20 | Release date: | 2021-09-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR. Nat.Chem.Biol., 17, 2021
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5KQX
| Protease E35D-SQV | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | Deposit date: | 2016-07-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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7N1V
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1T
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1Q
| Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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4XG3
| Crystal structure of an inhibitor-bound Syk | Descriptor: | 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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6EBO
| Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form | Descriptor: | CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ... | Authors: | Palowitch, G.M, Alapati, R.B, Boal, A.K. | Deposit date: | 2018-08-06 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4XNM
| Antibody Influenza H5 Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H5.3 FAB Heavy Chain, H5.3 FAB Light Chain, ... | Authors: | Winarski, K.L, Spiler, B.W. | Deposit date: | 2015-01-15 | Release date: | 2015-07-15 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Vaccine-elicited antibody that neutralizes H5N1 influenza and variants binds the receptor site and polymorphic sites. Proc.Natl.Acad.Sci.USA, 112, 2015
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5HFS
| CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | Descriptor: | CALCIUM ION, Gingipain R2, ZINC ION | Authors: | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | Deposit date: | 2016-01-07 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain. Sci Rep, 6, 2016
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6G6W
| HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide | Authors: | Segarra, V, Hernandez, B, Jestel, A, Mortel, M, Nagel, S. | Deposit date: | 2018-04-03 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery of a Novel Inhaled PI3K delta Inhibitor for the Treatment of Respiratory Diseases. J. Med. Chem., 61, 2018
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